5-Methoxy-6-methoxymethyl-4-(2-phenyltetrahydrothiophen-4-ylamino)pyrimidine

HCID 22011946
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Basic information

Standard SMILES
COCc1ncnc(NC2CSC(c3ccccc3)C2)c1OC
InChIKey
BTSZLUWKIGIQRN-UHFFFAOYSA-N
Molecular formula
C17H21N3O2S
Average molar mass
331.4 g/mol

Names & identifiers

Preferred name
5-Methoxy-6-methoxymethyl-4-(2-phenyltetrahydrothiophen-4-ylamino)pyrimidine
IUPAC
5-methoxy-6-(methoxymethyl)-N-(5-phenylthiolan-3-yl)pyrimidin-4-amine

Names & synonyms

SCHEMBL7973706BTSZLUWKIGIQRN-UHFFFAOYSA-N5-Methoxy-6-methoxymethyl-4-(2-phenyltetrahydrothiophen-4-ylamino)pyrimidine

Database identifiers

PubChem CID
22011946

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
81.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
23

Related reactions

2 records
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Compound notes

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