N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine

C22H31N5 — CID 112869024

IUPACN-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cccc(N2CCN(c3cc(NC4CCCCC4)nc(C)n3)CC2)c1
InChIInChI=1S/C22H31N5/c1-17-7-6-10-20(15-17)26-11-13-27(14-12-26)22-16-21(23-18(2)24-22)25-19-8-4-3-5-9-19/h6-7,10,15-16,19H,3-5,8-9,11-14H2,1-2H3,(H,23,24,25)
InChIKeyKXNTZVBVFQHZLT-UHFFFAOYSA-N
MW365.53 g/mol
LogP4.16
Rot. Bonds4

About N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine

N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112869024) has the molecular formula C22H31N5 and a molecular weight of 365.53 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112869024
Molecular FormulaC22H31N5
Molecular Weight365.53 g/mol
Exact Mass365.26
IUPAC NameN-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cccc(N2CCN(c3cc(NC4CCCCC4)nc(C)n3)CC2)c1
InChIInChI=1S/C22H31N5/c1-17-7-6-10-20(15-17)26-11-13-27(14-12-26)22-16-21(23-18(2)24-22)25-19-8-4-3-5-9-19/h6-7,10,15-16,19H,3-5,8-9,11-14H2,1-2H3,(H,23,24,25)
InChIKeyKXNTZVBVFQHZLT-UHFFFAOYSA-N
XLogP4.16
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868596
N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884796
N-cyclopentyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112868660
1-[4-[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871211
N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 112868654
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
CID 112867225
1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 134706665
N-(furan-2-ylmethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112871352
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360632
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone
CID 109363118
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine
CID 112909661
N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372608

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112869024) is N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is Cc1cccc(N2CCN(c3cc(NC4CCCCC4)nc(C)n3)CC2)c1.
What is the InChIKey of N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is KXNTZVBVFQHZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c1-17-7-6-10-20(15-17)26-11-13-27(14-12-26)22-16-21(23-18(2)24-22)25-19-8-4-3-5-9-19/h6-7,10,15-16,19H,3-5,8-9,11-14H2,1-2H3,(H,23,24,25).
What are the key properties of N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 365.53 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112869024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).