N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide

C12H10BrN3O2 — CID 121167315

IUPACN-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C12H10BrN3O2/c1-18-11-6-10(14-7-15-11)12(17)16-9-4-2-3-8(13)5-9/h2-7H,1H3,(H,16,17)
InChIKeyYQANUVLSFQKEKB-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.50
Rot. Bonds3

About N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide

N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide (PubChem CID 121167315) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide
PubChem CID121167315
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC NameN-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C12H10BrN3O2/c1-18-11-6-10(14-7-15-11)12(17)16-9-4-2-3-8(13)5-9/h2-7H,1H3,(H,16,17)
InChIKeyYQANUVLSFQKEKB-UHFFFAOYSA-N
XLogP2.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 121167293
N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167280
6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 121167255
N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353354
N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628640
N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342287
6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
CID 121167413
N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340731
6-methoxy-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 121167294
6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359672
4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167268

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide (CID 121167315) is N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide is COc1cc(C(=O)Nc2cccc(Br)c2)ncn1.
What is the InChIKey of N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide?
The InChIKey is YQANUVLSFQKEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c1-18-11-6-10(14-7-15-11)12(17)16-9-4-2-3-8(13)5-9/h2-7H,1H3,(H,16,17).
What are the key properties of N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide?
N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide has a molecular weight of 308.14 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide is sourced from PubChem (CID 121167315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).