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

C18H15BrN4O — CID 109356489

IUPAC6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1cc(Nc2cccc(Br)c2)ncn1)c1ccccc1
InChIInChI=1S/C18H15BrN4O/c1-23(15-8-3-2-4-9-15)18(24)16-11-17(21-12-20-16)22-14-7-5-6-13(19)10-14/h2-12H,1H3,(H,20,21,22)
InChIKeyNGPNUFAXMDJLKP-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.26
Rot. Bonds4

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

6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109356489) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109356489
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1cc(Nc2cccc(Br)c2)ncn1)c1ccccc1
InChIInChI=1S/C18H15BrN4O/c1-23(15-8-3-2-4-9-15)18(24)16-11-17(21-12-20-16)22-14-7-5-6-13(19)10-14/h2-12H,1H3,(H,20,21,22)
InChIKeyNGPNUFAXMDJLKP-UHFFFAOYSA-N
XLogP4.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356459
N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109356472
6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356491
6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356477
N-methyl-6-(methylamino)-N-phenylpyrimidine-4-carboxamide
CID 46178493
6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344377
6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109344991
N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356484
6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356432
6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338989
3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193173
[6-(3-bromoanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341775

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide (CID 109356489) is 6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide is CN(C(=O)c1cc(Nc2cccc(Br)c2)ncn1)c1ccccc1.
What is the InChIKey of 6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is NGPNUFAXMDJLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-23(15-8-3-2-4-9-15)18(24)16-11-17(21-12-20-16)22-14-7-5-6-13(19)10-14/h2-12H,1H3,(H,20,21,22).
What are the key properties of 6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109356489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).