N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide

C18H15BrN4O2 — CID 109269383

IUPACN-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cccc(Nc2ncc(C(=O)Nc3ccc(Br)cc3)cn2)c1
InChIInChI=1S/C18H15BrN4O2/c1-25-16-4-2-3-15(9-16)23-18-20-10-12(11-21-18)17(24)22-14-7-5-13(19)6-8-14/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyBNBCGLNZLQICNZ-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.24
Rot. Bonds5

About N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide

N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109269383) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
PubChem CID109269383
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC NameN-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cccc(Nc2ncc(C(=O)Nc3ccc(Br)cc3)cn2)c1
InChIInChI=1S/C18H15BrN4O2/c1-25-16-4-2-3-15(9-16)23-18-20-10-12(11-21-18)17(24)22-14-7-5-13(19)6-8-14/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyBNBCGLNZLQICNZ-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
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245082
methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109269515
2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269511
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269147
2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269533
N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265801
N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268536
6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163992
3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395
N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109266400

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide (CID 109269383) is N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide is COc1cccc(Nc2ncc(C(=O)Nc3ccc(Br)cc3)cn2)c1.
What is the InChIKey of N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is BNBCGLNZLQICNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O2/c1-25-16-4-2-3-15(9-16)23-18-20-10-12(11-21-18)17(24)22-14-7-5-13(19)6-8-14/h2-11H,1H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide?
N-(4-bromophenyl)-2-(3-methoxyanilino)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 N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).