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

C15H15BrN4O — CID 109320193

IUPACN-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1nc(C)cc(C(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C15H15BrN4O/c1-3-7-17-15-18-10(2)8-13(20-15)14(21)19-12-6-4-5-11(16)9-12/h3-6,8-9H,1,7H2,2H3,(H,19,21)(H,17,18,20)
InChIKeyWROYLZALJNFIDY-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.40
Rot. Bonds5

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

N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide (PubChem CID 109320193) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
PubChem CID109320193
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC NameN-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1nc(C)cc(C(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C15H15BrN4O/c1-3-7-17-15-18-10(2)8-13(20-15)14(21)19-12-6-4-5-11(16)9-12/h3-6,8-9H,1,7H2,2H3,(H,19,21)(H,17,18,20)
InChIKeyWROYLZALJNFIDY-UHFFFAOYSA-N
XLogP3.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.40
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
methyl 3-[[6-methyl-2-(prop-2-enylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109320177
N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320128
2-(3-bromoanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109335028
N-(3-bromophenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329959
6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109320171
6-methyl-N-(2-methylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320120
N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110862863
N-(2-bromo-4-methylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320194
6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320184
N-(2-ethoxyphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320161
N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109333607

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide (CID 109320193) is N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide is C=CCNc1nc(C)cc(C(=O)Nc2cccc(Br)c2)n1.
What is the InChIKey of N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The InChIKey is WROYLZALJNFIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-3-7-17-15-18-10(2)8-13(20-15)14(21)19-12-6-4-5-11(16)9-12/h3-6,8-9H,1,7H2,2H3,(H,19,21)(H,17,18,20).
What are the key properties of N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide has a molecular weight of 347.22 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109320193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).