6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide

C18H15BrN4O — CID 112848016

IUPAC6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(Br)c2)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C18H15BrN4O/c1-12-20-16(18(24)23-14-7-3-2-4-8-14)11-17(21-12)22-15-9-5-6-13(19)10-15/h2-11H,1H3,(H,23,24)(H,20,21,22)
InChIKeyLBYVQVPTPSZXNK-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.54
Rot. Bonds4

About 6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide

6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 112848016) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID112848016
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(Br)c2)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C18H15BrN4O/c1-12-20-16(18(24)23-14-7-3-2-4-8-14)11-17(21-12)22-15-9-5-6-13(19)10-15/h2-11H,1H3,(H,23,24)(H,20,21,22)
InChIKeyLBYVQVPTPSZXNK-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)-2,6-dimethylpyrimidine-4-carboxamide
CID 110862863
6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846670
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448
6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373487
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479
6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112847912
[6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 75538843
6-(3-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849930
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955
methyl 3-[[6-[(4-chlorophenyl)carbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112850176
2-[[6-(3-bromoanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194948
2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360462

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide (CID 112848016) is 6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide is Cc1nc(Nc2cccc(Br)c2)cc(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is LBYVQVPTPSZXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-20-16(18(24)23-14-7-3-2-4-8-14)11-17(21-12)22-15-9-5-6-13(19)10-15/h2-11H,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide?
6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-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 6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112848016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).