2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine

C18H32N6 — CID 142861909

IUPAC2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)C)nc(N2CCN(CC3CCCCC3)CC2)n1
InChIInChI=1S/C18H32N6/c1-19-16-13-17(22(2)3)21-18(20-16)24-11-9-23(10-12-24)14-15-7-5-4-6-8-15/h13,15H,4-12,14H2,1-3H3,(H,19,20,21)
InChIKeyYCMYTAAOKXZHQP-UHFFFAOYSA-N
MW332.50 g/mol
LogP2.29
Rot. Bonds5

About 2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine

2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine (PubChem CID 142861909) has the molecular formula C18H32N6 and a molecular weight of 332.50 g/mol. Its IUPAC name is 2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine
PubChem CID142861909
Molecular FormulaC18H32N6
Molecular Weight332.50 g/mol
Exact Mass332.27
IUPAC Name2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)C)nc(N2CCN(CC3CCCCC3)CC2)n1
InChIInChI=1S/C18H32N6/c1-19-16-13-17(22(2)3)21-18(20-16)24-11-9-23(10-12-24)14-15-7-5-4-6-8-15/h13,15H,4-12,14H2,1-3H3,(H,19,20,21)
InChIKeyYCMYTAAOKXZHQP-UHFFFAOYSA-N
XLogP2.29
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

anisole;2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine;ethane
CID 142861908
2-(4-benzylpiperazin-1-yl)-6-N-cyclononyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 142861903
2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 80960691
6-N-(4-cyclohexylphenyl)-4-N,4-N-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 10366817
6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171998123
6-ethyl-N-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62192871
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
N,N-dimethyl-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 133279645
2-(4-benzylpiperazin-1-yl)-6-N-(3-chloro-4-methylphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 10203425
[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 72920814
4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 120847701

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine (CID 142861909) is 2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine is CNc1cc(N(C)C)nc(N2CCN(CC3CCCCC3)CC2)n1.
What is the InChIKey of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine?
The InChIKey is YCMYTAAOKXZHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6/c1-19-16-13-17(22(2)3)21-18(20-16)24-11-9-23(10-12-24)14-15-7-5-4-6-8-15/h13,15H,4-12,14H2,1-3H3,(H,19,20,21).
What are the key properties of 2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine?
2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine has a molecular weight of 332.50 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylmethyl)piperazin-1-yl]-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 142861909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).