6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

C18H15BrN4O2 — CID 109358673

IUPAC6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Nc2ccc(Br)cc2)ncn1
InChIInChI=1S/C18H15BrN4O2/c1-25-16-5-3-2-4-14(16)23-18(24)15-10-17(21-11-20-15)22-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,23,24)(H,20,21,22)
InChIKeyBYZLBXQWIOWHIV-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.24
Rot. Bonds5

About 6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109358673) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is 6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109358673
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Nc2ccc(Br)cc2)ncn1
InChIInChI=1S/C18H15BrN4O2/c1-25-16-5-3-2-4-14(16)23-18(24)15-10-17(21-11-20-15)22-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,23,24)(H,20,21,22)
InChIKeyBYZLBXQWIOWHIV-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

6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358760
6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
CID 109355732
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358777
N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356224
6-(2,4-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358773
6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744
N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109356801
N-(2,3-dichlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358729
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358796

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide (CID 109358673) is 6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1cc(Nc2ccc(Br)cc2)ncn1.
What is the InChIKey of 6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is BYZLBXQWIOWHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O2/c1-25-16-5-3-2-4-14(16)23-18(24)15-10-17(21-11-20-15)22-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-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 6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).