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

C17H20N4O — CID 109320128

IUPACN-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1nc(C)cc(C(=O)Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C17H20N4O/c1-5-8-18-17-19-13(4)10-15(21-17)16(22)20-14-7-6-11(2)12(3)9-14/h5-7,9-10H,1,8H2,2-4H3,(H,20,22)(H,18,19,21)
InChIKeyIGZMQWXCQHKNCC-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.25
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide (PubChem CID 109320128) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
PubChem CID109320128
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1nc(C)cc(C(=O)Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C17H20N4O/c1-5-8-18-17-19-13(4)10-15(21-17)16(22)20-14-7-6-11(2)12(3)9-14/h5-7,9-10H,1,8H2,2-4H3,(H,20,22)(H,18,19,21)
InChIKeyIGZMQWXCQHKNCC-UHFFFAOYSA-N
XLogP3.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.25
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

6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320119
N-(3,4-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318960
6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109320171
N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320193
6-methyl-N-(2-methylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320120
methyl 3-[[6-methyl-2-(prop-2-enylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109320177
6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320184
N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110282
N-(2-bromo-4-methylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320194
N-(3-chloro-4-methylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109296032
N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318989
N-(2-ethoxyphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320161

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide (CID 109320128) is N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide is C=CCNc1nc(C)cc(C(=O)Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The InChIKey is IGZMQWXCQHKNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-5-8-18-17-19-13(4)10-15(21-17)16(22)20-14-7-6-11(2)12(3)9-14/h5-7,9-10H,1,8H2,2-4H3,(H,20,22)(H,18,19,21).
What are the key properties of N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109320128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).