N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide

C16H18N4O — CID 109339512

IUPACN-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)Nc2cc(C)cc(C)c2)ncn1
InChIInChI=1S/C16H18N4O/c1-4-5-17-15-9-14(18-10-19-15)16(21)20-13-7-11(2)6-12(3)8-13/h4,6-10H,1,5H2,2-3H3,(H,20,21)(H,17,18,19)
InChIKeyDUNWPPAWNYTITG-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.94
Rot. Bonds5

About N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide

N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide (PubChem CID 109339512) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
PubChem CID109339512
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)Nc2cc(C)cc(C)c2)ncn1
InChIInChI=1S/C16H18N4O/c1-4-5-17-15-9-14(18-10-19-15)16(21)20-13-7-11(2)6-12(3)8-13/h4,6-10H,1,5H2,2-3H3,(H,20,21)(H,17,18,19)
InChIKeyDUNWPPAWNYTITG-UHFFFAOYSA-N
XLogP2.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.94
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

N-(4-bromo-3-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339579
N-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339520
N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339596
N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348061
6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355806
N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339549
N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109339717
N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339420
2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361248
N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351185
N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338241
5-(prop-2-enylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109272249

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide (CID 109339512) is N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide is C=CCNc1cc(C(=O)Nc2cc(C)cc(C)c2)ncn1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The InChIKey is DUNWPPAWNYTITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-4-5-17-15-9-14(18-10-19-15)16(21)20-13-7-11(2)6-12(3)8-13/h4,6-10H,1,5H2,2-3H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109339512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).