2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide

C16H18N4O2 — CID 109320348

IUPAC2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(C)nc(Nc2ccccc2OC)n1
InChIInChI=1S/C16H18N4O2/c1-4-9-17-15(21)13-10-11(2)18-16(20-13)19-12-7-5-6-8-14(12)22-3/h4-8,10H,1,9H2,2-3H3,(H,17,21)(H,18,19,20)
InChIKeyAQVVRJSBEXUHRE-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.45
Rot. Bonds6

About 2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide

2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109320348) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109320348
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(C)nc(Nc2ccccc2OC)n1
InChIInChI=1S/C16H18N4O2/c1-4-9-17-15(21)13-10-11(2)18-16(20-13)19-12-7-5-6-8-14(12)22-3/h4-8,10H,1,9H2,2-3H3,(H,17,21)(H,18,19,20)
InChIKeyAQVVRJSBEXUHRE-UHFFFAOYSA-N
XLogP2.45
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyanilino)-6-methyl-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-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320356
N-(furan-2-ylmethyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327013
2-(2,4-dichloroanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320399
2-(2-methoxyanilino)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337428
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337395
N-(2-cyanophenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337446
2-(3,4-dichloroanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320398
N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337379
N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109325125
6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109319229
2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337478

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide (CID 109320348) is 2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(C)nc(Nc2ccccc2OC)n1.
What is the InChIKey of 2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is AQVVRJSBEXUHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-4-9-17-15(21)13-10-11(2)18-16(20-13)19-12-7-5-6-8-14(12)22-3/h4-8,10H,1,9H2,2-3H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide?
2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109320348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).