6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

C19H17BrN4O — CID 109346974

IUPAC6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1cc(Nc2ccc(Br)cc2)ncn1
InChIInChI=1S/C19H17BrN4O/c1-13-4-2-3-5-14(13)11-21-19(25)17-10-18(23-12-22-17)24-16-8-6-15(20)7-9-16/h2-10,12H,11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyFOWUQAFUIMZXCB-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.22
Rot. Bonds5

About 6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109346974) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109346974
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1cc(Nc2ccc(Br)cc2)ncn1
InChIInChI=1S/C19H17BrN4O/c1-13-4-2-3-5-14(13)11-21-19(25)17-10-18(23-12-22-17)24-16-8-6-15(20)7-9-16/h2-10,12H,11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyFOWUQAFUIMZXCB-UHFFFAOYSA-N
XLogP4.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109346955
ethyl 4-[[6-[(2-methylphenyl)methylcarbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109347005
6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347458
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347017
methyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109346993
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348199
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
CID 109355732
6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354342
6-(3-chloro-4-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348203
N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109346690
N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109348624

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109346974) is 6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1ccccc1CNC(=O)c1cc(Nc2ccc(Br)cc2)ncn1.
What is the InChIKey of 6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is FOWUQAFUIMZXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-4-2-3-5-14(13)11-21-19(25)17-10-18(23-12-22-17)24-16-8-6-15(20)7-9-16/h2-10,12H,11H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109346974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).