N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide

C16H19BrN4O — CID 109319418

IUPACN-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cc2C)nc(NC(C)C)n1
InChIInChI=1S/C16H19BrN4O/c1-9(2)18-16-19-11(4)8-14(21-16)15(22)20-13-6-5-12(17)7-10(13)3/h5-9H,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyDHDUQFGOWJWXCP-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.93
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide

N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 109319418) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID109319418
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cc2C)nc(NC(C)C)n1
InChIInChI=1S/C16H19BrN4O/c1-9(2)18-16-19-11(4)8-14(21-16)15(22)20-13-6-5-12(17)7-10(13)3/h5-9H,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyDHDUQFGOWJWXCP-UHFFFAOYSA-N
XLogP3.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319251
N-(4-bromo-2-methylphenyl)-2-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109297242
6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109319423
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319403
N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319328
N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362090
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319375
[2-(4-bromo-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321880
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319258
2-hydrazinyl-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 114220571
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide (CID 109319418) is N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(Br)cc2C)nc(NC(C)C)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is DHDUQFGOWJWXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-9(2)18-16-19-11(4)8-14(21-16)15(22)20-13-6-5-12(17)7-10(13)3/h5-9H,1-4H3,(H,20,22)(H,18,19,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109319418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).