N-(1-Ethyl-propyl)-2-methyl-5-nitro-N'-(2,4,6-trimethyl-pyridin-3-yl)-pyrimidine-4,6-diamine

HCID 9820165
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Basic information

Standard SMILES
CCC(CC)Nc1nc(C)nc(Nc2c(C)cc(C)nc2C)c1[N+](=O)[O-]
InChIKey
NVEQNLHPEJPFBQ-UHFFFAOYSA-N
Molecular formula
C18H26N6O2
Average molar mass
358.4 g/mol
Monoisotopic mass
358.21172409

Names & identifiers

Preferred name
N-(1-Ethyl-propyl)-2-methyl-5-nitro-N'-(2,4,6-trimethyl-pyridin-3-yl)-pyrimidine-4,6-diamine
IUPAC
2-methyl-5-nitro-4-N-pentan-3-yl-6-N-(2,4,6-trimethyl-3-pyridinyl)pyrimidine-4,6-diamine

Names & synonyms

SCHEMBL5843954NVEQNLHPEJPFBQ-UHFFFAOYSA-NN-(1-Ethyl-propyl)-2-methyl-5-nitro-N'-(2,4,6 trimethyl-pyridin-3-yl)-pyrimidine-4,6-diamineN-(1-Ethyl-propyl)-2-methyl-5-nitro-N'-(2,4,6-trimethyl-pyridin-3-yl)-pyrimidine-4,6-diamine

Database identifiers

PubChem CID
9820165

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
109 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
26

Related reactions

6 records
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Compound notes

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N-(1-Ethyl-propyl)-2-methyl-5-nitro-N'-(2,4,6-trimethyl-pyridin-3-yl)-pyrimidine-4,6-diamine (HCID 9820165)｜Huagongshe