N-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide

C27H37N5O — CID 11539625

IUPACN-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(N2CCN(C)CC2)nc1C1(c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C27H37N5O/c1-3-32(22-12-8-5-9-13-22)25(33)23-20-28-26(31-18-16-30(2)17-19-31)29-24(23)27(14-15-27)21-10-6-4-7-11-21/h4,6-7,10-11,20,22H,3,5,8-9,12-19H2,1-2H3
InChIKeyJDJLCQHGVNUGMP-UHFFFAOYSA-N
MW447.63 g/mol
LogP4.10
Rot. Bonds6

About N-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide

N-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide (PubChem CID 11539625) has the molecular formula C27H37N5O and a molecular weight of 447.63 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
PubChem CID11539625
Molecular FormulaC27H37N5O
Molecular Weight447.63 g/mol
Exact Mass447.30
IUPAC NameN-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(N2CCN(C)CC2)nc1C1(c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C27H37N5O/c1-3-32(22-12-8-5-9-13-22)25(33)23-20-28-26(31-18-16-30(2)17-19-31)29-24(23)27(14-15-27)21-10-6-4-7-11-21/h4,6-7,10-11,20,22H,3,5,8-9,12-19H2,1-2H3
InChIKeyJDJLCQHGVNUGMP-UHFFFAOYSA-N
XLogP4.10
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide 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 N-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide (CID 11539625) is N-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide is CCN(C(=O)c1cnc(N2CCN(C)CC2)nc1C1(c2ccccc2)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide?
The InChIKey is JDJLCQHGVNUGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O/c1-3-32(22-12-8-5-9-13-22)25(33)23-20-28-26(31-18-16-30(2)17-19-31)29-24(23)27(14-15-27)21-10-6-4-7-11-21/h4,6-7,10-11,20,22H,3,5,8-9,12-19H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide?
N-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide has a molecular weight of 447.63 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(4-methylpiperazin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 11539625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).