trans-4-(4-(Methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-ylamino)cyclohexanecarboxylic acid

HCID 67330775

Basic information

Standard SMILES
CNc1nc(NC2CCC(C(=O)O)CC2)nc(N2CCN(C)CC2)n1
InChIKey
FOAAJPCFVZWBSD-UHFFFAOYSA-N
Molecular formula
C16H27N7O2
Average molar mass
349.43 g/mol
Monoisotopic mass
349.22262313

Names & identifiers

Preferred name
trans-4-(4-(Methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-ylamino)cyclohexanecarboxylic acid
IUPAC
4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxylic acid

Names & synonyms

SCHEMBL2241452SCHEMBL2241464FOAAJPCFVZWBSD-HAQNSBGRSA-NFOAAJPCFVZWBSD-UHFFFAOYSA-N4-{[4-(methylamino)-6-(4-methyl-1-piperazinyl)-1,3,5-triazin-2-yl]amino}cyclohexanecarboxylic acidtrans-4-(4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-ylamino) cyclohexanecarboxylic acidtrans-4-(4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-ylamino)cyclohexanecarboxylic acid

Database identifiers

PubChem CID
67330775

Properties

Computed structural properties

XLogP
-0.6
Topological polar surface area
107 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
25

Related reactions

4 records

Linked notes

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