6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine

C28H36N6 — CID 10366817

IUPAC6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine
SMILESCN(C)c1cc(Nc2ccc(C3CCCCC3)cc2)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C28H36N6/c1-32(2)27-21-26(29-24-15-13-23(14-16-24)22-9-5-3-6-10-22)30-28(31-27)34-19-17-33(18-20-34)25-11-7-4-8-12-25/h4,7-8,11-16,21-22H,3,5-6,9-10,17-20H2,1-2H3,(H,29,30,31)
InChIKeyFSDACCJLGOIQAH-UHFFFAOYSA-N
MW456.64 g/mol
LogP5.66
Rot. Bonds6

About 6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine

6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine (PubChem CID 10366817) has the molecular formula C28H36N6 and a molecular weight of 456.64 g/mol. Its IUPAC name is 6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine
PubChem CID10366817
Molecular FormulaC28H36N6
Molecular Weight456.64 g/mol
Exact Mass456.30
IUPAC Name6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine
SMILESCN(C)c1cc(Nc2ccc(C3CCCCC3)cc2)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C28H36N6/c1-32(2)27-21-26(29-24-15-13-23(14-16-24)22-9-5-3-6-10-22)30-28(31-27)34-19-17-33(18-20-34)25-11-7-4-8-12-25/h4,7-8,11-16,21-22H,3,5-6,9-10,17-20H2,1-2H3,(H,29,30,31)
InChIKeyFSDACCJLGOIQAH-UHFFFAOYSA-N
XLogP5.66
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.64
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N,4-N-dimethyl-6-N-(4-methylphenyl)-2-(4-phenylpiperidin-1-yl)pyrimidine-4,6-diamine
CID 68560252
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-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 142861903
6-N-(5-cyclohexylcyclohepta-1,4-dien-1-yl)-4-N,4-N-dimethyl-2-(4-pyridin-2-yl-1,4-diazepan-1-yl)pyrimidine-4,6-diamine
CID 142862532
N-(4-methoxyphenyl)-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 57399456
2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 10203425
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112922264
anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane
CID 142861908
6-N-(3,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 20825593
6-methyl-N-(4-piperidin-1-ylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909558
2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine
CID 142861909
[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 27477450

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine (CID 10366817) is 6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine is CN(C)c1cc(Nc2ccc(C3CCCCC3)cc2)nc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine?
The InChIKey is FSDACCJLGOIQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6/c1-32(2)27-21-26(29-24-15-13-23(14-16-24)22-9-5-3-6-10-22)30-28(31-27)34-19-17-33(18-20-34)25-11-7-4-8-12-25/h4,7-8,11-16,21-22H,3,5-6,9-10,17-20H2,1-2H3,(H,29,30,31).
What are the key properties of 6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine?
6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine has a molecular weight of 456.64 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 10366817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).