N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide

C14H20N4O — CID 109339420

IUPACN-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)NC2CCCCC2)ncn1
InChIInChI=1S/C14H20N4O/c1-2-8-15-13-9-12(16-10-17-13)14(19)18-11-6-4-3-5-7-11/h2,9-11H,1,3-8H2,(H,18,19)(H,15,16,17)
InChIKeyDYDAQOWHFPTFFB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.14
Rot. Bonds5

About N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide

N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide (PubChem CID 109339420) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
PubChem CID109339420
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)NC2CCCCC2)ncn1
InChIInChI=1S/C14H20N4O/c1-2-8-15-13-9-12(16-10-17-13)14(19)18-11-6-4-3-5-7-11/h2,9-11H,1,3-8H2,(H,18,19)(H,15,16,17)
InChIKeyDYDAQOWHFPTFFB-UHFFFAOYSA-N
XLogP2.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361162
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109341985
N-cyclopentyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109341395
N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339512
N-cyclopentyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109341446
6-anilino-N-cyclopentylpyrimidine-4-carboxamide
CID 109341462
N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338241
N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339596
N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109342014
6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339622

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide (CID 109339420) is N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide is C=CCNc1cc(C(=O)NC2CCCCC2)ncn1.
What is the InChIKey of N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The InChIKey is DYDAQOWHFPTFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-8-15-13-9-12(16-10-17-13)14(19)18-11-6-4-3-5-7-11/h2,9-11H,1,3-8H2,(H,18,19)(H,15,16,17).
What are the key properties of N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109339420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).