2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide

C18H15BrN4O — CID 109265544

IUPAC2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3cccc(Br)c3)nc2)c1
InChIInChI=1S/C18H15BrN4O/c1-12-4-2-6-15(8-12)22-17(24)13-10-20-18(21-11-13)23-16-7-3-5-14(19)9-16/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyXVRISQAVCQUCPN-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.54
Rot. Bonds4

About 2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide

2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265544) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265544
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3cccc(Br)c3)nc2)c1
InChIInChI=1S/C18H15BrN4O/c1-12-4-2-6-15(8-12)22-17(24)13-10-20-18(21-11-13)23-16-7-3-5-14(19)9-16/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyXVRISQAVCQUCPN-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
2-(3-bromoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266425
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269522
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826542
N-(3-chloro-4-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265603
N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265594
N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109265493
methyl 4-[[5-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109265533
2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide (CID 109265544) is 2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide is Cc1cccc(NC(=O)c2cnc(Nc3cccc(Br)c3)nc2)c1.
What is the InChIKey of 2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is XVRISQAVCQUCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-4-2-6-15(8-12)22-17(24)13-10-20-18(21-11-13)23-16-7-3-5-14(19)9-16/h2-11H,1H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).