2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide

C16H19BrN4O — CID 109248556

IUPAC2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NCC(C)C)cn2)cc1Br
InChIInChI=1S/C16H19BrN4O/c1-10(2)7-18-15(22)12-8-19-16(20-9-12)21-13-5-4-11(3)14(17)6-13/h4-6,8-10H,7H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyYBGZAQCBYDVSSS-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.68
Rot. Bonds5

About 2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide

2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide (PubChem CID 109248556) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
PubChem CID109248556
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NCC(C)C)cn2)cc1Br
InChIInChI=1S/C16H19BrN4O/c1-10(2)7-18-15(22)12-8-19-16(20-9-12)21-13-5-4-11(3)14(17)6-13/h4-6,8-10H,7H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyYBGZAQCBYDVSSS-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(3-bromo-4-methylanilino)pyrimidine-5-carboxamide
CID 109255309
2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248532
2-(1,3-benzodioxol-5-ylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248596
2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 109251455
4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079869
[2-(3-bromo-4-methylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249324
2-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248539
N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109248589
2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246985
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758
2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109263460

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide (CID 109248556) is 2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide is Cc1ccc(Nc2ncc(C(=O)NCC(C)C)cn2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The InChIKey is YBGZAQCBYDVSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-10(2)7-18-15(22)12-8-19-16(20-9-12)21-13-5-4-11(3)14(17)6-13/h4-6,8-10H,7H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).