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

C21H29N5 — CID 112884796

IUPACN-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cccc(N2CCN(c3nccc(NC4CCCCC4)n3)CC2)c1
InChIInChI=1S/C21H29N5/c1-17-6-5-9-19(16-17)25-12-14-26(15-13-25)21-22-11-10-20(24-21)23-18-7-3-2-4-8-18/h5-6,9-11,16,18H,2-4,7-8,12-15H2,1H3,(H,22,23,24)
InChIKeyDOKDNVJWTNSUEX-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.86
Rot. Bonds4

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

N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112884796) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112884796
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC NameN-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cccc(N2CCN(c3nccc(NC4CCCCC4)n3)CC2)c1
InChIInChI=1S/C21H29N5/c1-17-6-5-9-19(16-17)25-12-14-26(15-13-25)21-22-11-10-20(24-21)23-18-7-3-2-4-8-18/h5-6,9-11,16,18H,2-4,7-8,12-15H2,1H3,(H,22,23,24)
InChIKeyDOKDNVJWTNSUEX-UHFFFAOYSA-N
XLogP3.86
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidin-4-amine
CID 112882024
N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112869024
N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898153
N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884053
N-cycloheptyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112884682
N-cyclohexyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884822
N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898168
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine
CID 112909661
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884797
N-[(4-fluorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112891387
2-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzonitrile
CID 112898203
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-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112884796) is N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is Cc1cccc(N2CCN(c3nccc(NC4CCCCC4)n3)CC2)c1.
What is the InChIKey of N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is DOKDNVJWTNSUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c1-17-6-5-9-19(16-17)25-12-14-26(15-13-25)21-22-11-10-20(24-21)23-18-7-3-2-4-8-18/h5-6,9-11,16,18H,2-4,7-8,12-15H2,1H3,(H,22,23,24).
What are the key properties of N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 351.50 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112884796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).