2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine

C24H29ClN6 — CID 10203425

IUPAC2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(N(C)C)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1Cl
InChIInChI=1S/C24H29ClN6/c1-18-9-10-20(15-21(18)25)26-22-16-23(29(2)3)28-24(27-22)31-13-11-30(12-14-31)17-19-7-5-4-6-8-19/h4-10,15-16H,11-14,17H2,1-3H3,(H,26,27,28)
InChIKeyWKSBPUTWZKRTKN-UHFFFAOYSA-N
MW436.99 g/mol
LogP4.57
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine

2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 10203425) has the molecular formula C24H29ClN6 and a molecular weight of 436.99 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID10203425
Molecular FormulaC24H29ClN6
Molecular Weight436.99 g/mol
Exact Mass436.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(N(C)C)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1Cl
InChIInChI=1S/C24H29ClN6/c1-18-9-10-20(15-21(18)25)26-22-16-23(29(2)3)28-24(27-22)31-13-11-30(12-14-31)17-19-7-5-4-6-8-19/h4-10,15-16H,11-14,17H2,1-3H3,(H,26,27,28)
InChIKeyWKSBPUTWZKRTKN-UHFFFAOYSA-N
XLogP4.57
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.99
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

2-(4-benzylpiperazin-1-yl)-6-N-(4-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 58863852
2-(4-benzylpiperazin-1-yl)-6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 58863836
2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 142861903
3-(4-benzylpiperazin-1-yl)-N-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112955393
6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 20825593
2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-(3-methylpenta-2,4-dien-2-yl)pyrimidine-4,6-diamine
CID 142861847
2-(4-benzylpiperazin-1-yl)-6-N-[(2R,3R)-3-(2,2-dimethylcyclobutyl)butan-2-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 70948212
2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 112922149
6-N-(3-benzylphenyl)-4-N,4-N-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 58863796
N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910263
4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine
CID 68560252
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 10203425) is 2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine is Cc1ccc(Nc2cc(N(C)C)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1Cl.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is WKSBPUTWZKRTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6/c1-18-9-10-20(15-21(18)25)26-22-16-23(29(2)3)28-24(27-22)31-13-11-30(12-14-31)17-19-7-5-4-6-8-19/h4-10,15-16H,11-14,17H2,1-3H3,(H,26,27,28).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 436.99 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 10203425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).