N-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide

C17H20N4O — CID 109339520

IUPACN-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)Nc2ccc(C(C)C)cc2)ncn1
InChIInChI=1S/C17H20N4O/c1-4-9-18-16-10-15(19-11-20-16)17(22)21-14-7-5-13(6-8-14)12(2)3/h4-8,10-12H,1,9H2,2-3H3,(H,21,22)(H,18,19,20)
InChIKeyOKIBIEUJWPWTDU-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.45
Rot. Bonds6

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

N-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide (PubChem CID 109339520) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
PubChem CID109339520
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)Nc2ccc(C(C)C)cc2)ncn1
InChIInChI=1S/C17H20N4O/c1-4-9-18-16-10-15(19-11-20-16)17(22)21-14-7-5-13(6-8-14)12(2)3/h4-8,10-12H,1,9H2,2-3H3,(H,21,22)(H,18,19,20)
InChIKeyOKIBIEUJWPWTDU-UHFFFAOYSA-N
XLogP3.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-propan-2-ylphenyl)-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-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339512
N-(4-propan-2-ylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350192
N-(4-bromo-3-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339579
N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339596
6-(2-fluoroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357645
6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357654
6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357655
N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339549
6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179338
6-(2-methylpropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109340331
6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339744
N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109357666

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide (CID 109339520) is N-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide is C=CCNc1cc(C(=O)Nc2ccc(C(C)C)cc2)ncn1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The InChIKey is OKIBIEUJWPWTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-4-9-18-16-10-15(19-11-20-16)17(22)21-14-7-5-13(6-8-14)12(2)3/h4-8,10-12H,1,9H2,2-3H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
N-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109339520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).