N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide

C15H16N4O — CID 109247938

IUPACN-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
SMILESC=CCNc1ncc(C(=O)Nc2cccc(C)c2)cn1
InChIInChI=1S/C15H16N4O/c1-3-7-16-15-17-9-12(10-18-15)14(20)19-13-6-4-5-11(2)8-13/h3-6,8-10H,1,7H2,2H3,(H,19,20)(H,16,17,18)
InChIKeyYZORNJJJDBNZAO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.64
Rot. Bonds5

About N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide

N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide (PubChem CID 109247938) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
PubChem CID109247938
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
SMILESC=CCNc1ncc(C(=O)Nc2cccc(C)c2)cn1
InChIInChI=1S/C15H16N4O/c1-3-7-16-15-17-9-12(10-18-15)14(20)19-13-6-4-5-11(2)8-13/h3-6,8-10H,1,7H2,2H3,(H,19,20)(H,16,17,18)
InChIKeyYZORNJJJDBNZAO-UHFFFAOYSA-N
XLogP2.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255987
N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259537
3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980083
2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265494
N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265594
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109265493
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 109248020
2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide (CID 109247938) is N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide is C=CCNc1ncc(C(=O)Nc2cccc(C)c2)cn1.
What is the InChIKey of N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
The InChIKey is YZORNJJJDBNZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-7-16-15-17-9-12(10-18-15)14(20)19-13-6-4-5-11(2)8-13/h3-6,8-10H,1,7H2,2H3,(H,19,20)(H,16,17,18).
What are the key properties of N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).