N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine

C23H27N5 — CID 112898168

IUPACN-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cccc(N2CCN(c3nccc(Nc4ccc(C)cc4C)n3)CC2)c1
InChIInChI=1S/C23H27N5/c1-17-5-4-6-20(16-17)27-11-13-28(14-12-27)23-24-10-9-22(26-23)25-21-8-7-18(2)15-19(21)3/h4-10,15-16H,11-14H2,1-3H3,(H,24,25,26)
InChIKeyJMKVWNZFWZBOLH-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.47
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine

N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112898168) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112898168
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cccc(N2CCN(c3nccc(Nc4ccc(C)cc4C)n3)CC2)c1
InChIInChI=1S/C23H27N5/c1-17-5-4-6-20(16-17)27-11-13-28(14-12-27)23-24-10-9-22(26-23)25-21-8-7-18(2)15-19(21)3/h4-10,15-16H,11-14H2,1-3H3,(H,24,25,26)
InChIKeyJMKVWNZFWZBOLH-UHFFFAOYSA-N
XLogP4.47
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzonitrile
CID 112898203
N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898510
N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898153
2-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidin-4-amine
CID 112882024
N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884796
N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896522
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 112898411
N-[(4-fluorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112891387
N-(2,3-dimethylphenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923499
4-N-(2,4-dimethylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112902457
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)pyrimidin-4-amine
CID 112898416
4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888119

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112898168) is N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is Cc1cccc(N2CCN(c3nccc(Nc4ccc(C)cc4C)n3)CC2)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is JMKVWNZFWZBOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-17-5-4-6-20(16-17)27-11-13-28(14-12-27)23-24-10-9-22(26-23)25-21-8-7-18(2)15-19(21)3/h4-10,15-16H,11-14H2,1-3H3,(H,24,25,26).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 373.50 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112898168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).