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

C18H15BrN4O2 — CID 109269426

IUPAC2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(Nc2cccc(Br)c2)nc1
InChIInChI=1S/C18H15BrN4O2/c1-25-16-8-3-2-7-15(16)23-17(24)12-10-20-18(21-11-12)22-14-6-4-5-13(19)9-14/h2-11H,1H3,(H,23,24)(H,20,21,22)
InChIKeyCPSGFJBMVHAEKT-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.24
Rot. Bonds5

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

2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109269426) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109269426
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(Nc2cccc(Br)c2)nc1
InChIInChI=1S/C18H15BrN4O2/c1-25-16-8-3-2-7-15(16)23-17(24)12-10-20-18(21-11-12)22-14-6-4-5-13(19)9-14/h2-11H,1H3,(H,23,24)(H,20,21,22)
InChIKeyCPSGFJBMVHAEKT-UHFFFAOYSA-N
XLogP4.24
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromoanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269522
N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109269412
2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268879
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(3-bromoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266425
N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269383
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715
2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109265216
3-anilino-N-(2-methoxyphenyl)benzamide
CID 3501279
N-(3-bromophenyl)-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109199748

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide (CID 109269426) is 2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide is COc1ccccc1NC(=O)c1cnc(Nc2cccc(Br)c2)nc1.
What is the InChIKey of 2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is CPSGFJBMVHAEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O2/c1-25-16-8-3-2-7-15(16)23-17(24)12-10-20-18(21-11-12)22-14-6-4-5-13(19)9-14/h2-11H,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide?
2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 399.25 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).