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

C19H17BrN4O — CID 109347458

IUPAC6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Nc3ccc(Br)cc3)ncn2)cc1
InChIInChI=1S/C19H17BrN4O/c1-13-2-4-14(5-3-13)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)
InChIKeySKQCGZJFRNQOJF-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.22
Rot. Bonds5

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

6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109347458) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109347458
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Nc3ccc(Br)cc3)ncn2)cc1
InChIInChI=1S/C19H17BrN4O/c1-13-2-4-14(5-3-13)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)
InChIKeySKQCGZJFRNQOJF-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-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347444
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347450
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109347466
6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109346974
6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347455
6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347441
N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109346690
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528
6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354342
6-(2,3-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347442
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109347458) is 6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(Nc3ccc(Br)cc3)ncn2)cc1.
What is the InChIKey of 6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is SKQCGZJFRNQOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-2-4-14(5-3-13)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-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(4-bromoanilino)-N-[(4-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-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109347458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).