2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide

C20H18N4O2 — CID 109296281

IUPAC2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1ccnc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C20H18N4O2/c1-2-13-21-19(25)17-12-14-22-20(24-17)23-16-10-6-7-11-18(16)26-15-8-4-3-5-9-15/h2-12,14H,1,13H2,(H,21,25)(H,22,23,24)
InChIKeyZGCGJTBVCZCBAP-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.93
Rot. Bonds7

About 2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide

2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109296281) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109296281
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1ccnc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C20H18N4O2/c1-2-13-21-19(25)17-12-14-22-20(24-17)23-16-10-6-7-11-18(16)26-15-8-4-3-5-9-15/h2-12,14H,1,13H2,(H,21,25)(H,22,23,24)
InChIKeyZGCGJTBVCZCBAP-UHFFFAOYSA-N
XLogP3.93
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-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

2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361525
N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314355
2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296243
6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151538
N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295911
2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296133
2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320348
2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109298011
N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109301340
2-(2-phenoxyanilino)-N-prop-2-enylacetamide
CID 108992999
2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307935
N-benzyl-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109303869

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide (CID 109296281) is 2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1ccnc(Nc2ccccc2Oc2ccccc2)n1.
What is the InChIKey of 2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is ZGCGJTBVCZCBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-2-13-21-19(25)17-12-14-22-20(24-17)23-16-10-6-7-11-18(16)26-15-8-4-3-5-9-15/h2-12,14H,1,13H2,(H,21,25)(H,22,23,24).
What are the key properties of 2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109296281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).