6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide

C19H17BrN4O — CID 109346592

IUPAC6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(NCc3ccccc3)ncn2)ccc1Br
InChIInChI=1S/C19H17BrN4O/c1-13-9-15(7-8-16(13)20)24-19(25)17-10-18(23-12-22-17)21-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyYPPDVEZVEGHZEA-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.41
Rot. Bonds5

About 6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide

6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109346592) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109346592
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(NCc3ccccc3)ncn2)ccc1Br
InChIInChI=1S/C19H17BrN4O/c1-13-9-15(7-8-16(13)20)24-19(25)17-10-18(23-12-22-17)21-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyYPPDVEZVEGHZEA-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109349961
N-(4-bromo-3-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339579
6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109346565
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350174
6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109346550
N-(3-methylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347311
2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109255502
6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109348697
6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109346618
6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109346612
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109346582
N-(3-methylphenyl)-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346825

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide (CID 109346592) is 6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide is Cc1cc(NC(=O)c2cc(NCc3ccccc3)ncn2)ccc1Br.
What is the InChIKey of 6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is YPPDVEZVEGHZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-9-15(7-8-16(13)20)24-19(25)17-10-18(23-12-22-17)21-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide?
6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).