5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine

C16H27N5 — CID 171069962

IUPAC5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine
SMILESCc1cnc(NC2CCC(N3CCN(C)CC3)CC2)nc1
InChIInChI=1S/C16H27N5/c1-13-11-17-16(18-12-13)19-14-3-5-15(6-4-14)21-9-7-20(2)8-10-21/h11-12,14-15H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyDKYDSGXYEXJDOF-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.76
Rot. Bonds3

About 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine

5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine (PubChem CID 171069962) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine
PubChem CID171069962
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine
SMILESCc1cnc(NC2CCC(N3CCN(C)CC3)CC2)nc1
InChIInChI=1S/C16H27N5/c1-13-11-17-16(18-12-13)19-14-3-5-15(6-4-14)21-9-7-20(2)8-10-21/h11-12,14-15H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyDKYDSGXYEXJDOF-UHFFFAOYSA-N
XLogP1.76
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine (CID 171069962) is 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine is Cc1cnc(NC2CCC(N3CCN(C)CC3)CC2)nc1.
What is the InChIKey of 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine?
The InChIKey is DKYDSGXYEXJDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-13-11-17-16(18-12-13)19-14-3-5-15(6-4-14)21-9-7-20(2)8-10-21/h11-12,14-15H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine?
5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine has a molecular weight of 289.43 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 171069962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).