N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide

C16H19BrN4O — CID 109318989

IUPACN-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nc(C)cc(C(=O)Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C16H19BrN4O/c1-4-7-18-16-19-11(3)8-14(21-16)15(22)20-12-6-5-10(2)13(17)9-12/h5-6,8-9H,4,7H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyPZTOZTXACMXQKW-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.93
Rot. Bonds5

About N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide

N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109318989) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
PubChem CID109318989
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nc(C)cc(C(=O)Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C16H19BrN4O/c1-4-7-18-16-19-11(3)8-14(21-16)15(22)20-12-6-5-10(2)13(17)9-12/h5-6,8-9H,4,7H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyPZTOZTXACMXQKW-UHFFFAOYSA-N
XLogP3.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318960
N-(3,5-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318961
N-[4-(diethylamino)phenyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109319014
6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109318997
N-(2,5-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318959
2-(butylamino)-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320526
2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318967
2-(butylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320521
2-(butylamino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109320536
6-methyl-2-(pentylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109333333
6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide
CID 109319017

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide (CID 109318989) is N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide is CCCNc1nc(C)cc(C(=O)Nc2ccc(C)c(Br)c2)n1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is PZTOZTXACMXQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-4-7-18-16-19-11(3)8-14(21-16)15(22)20-12-6-5-10(2)13(17)9-12/h5-6,8-9H,4,7H2,1-3H3,(H,20,22)(H,18,19,21).
What are the key properties of N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide?
N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).