N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

C18H16BrN5O — CID 109370811

IUPACN-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccccn2)cc(C(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C18H16BrN5O/c1-12-22-16(18(25)24-15-8-3-2-7-14(15)19)10-17(23-12)21-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyJMLPDTZOEQHRCJ-UHFFFAOYSA-N
MW398.26 g/mol
LogP3.81
Rot. Bonds5

About N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109370811) has the molecular formula C18H16BrN5O and a molecular weight of 398.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109370811
Molecular FormulaC18H16BrN5O
Molecular Weight398.26 g/mol
Exact Mass397.05
IUPAC NameN-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccccn2)cc(C(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C18H16BrN5O/c1-12-22-16(18(25)24-15-8-3-2-7-14(15)19)10-17(23-12)21-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyJMLPDTZOEQHRCJ-UHFFFAOYSA-N
XLogP3.81
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370820
N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109368374
N-(3-methoxyphenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370787
N-(2-methoxyethyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109364829
N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120767
N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide
CID 109362467
6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370893
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370720
6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368315
6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370881
2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109371305
6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368287

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109370811) is N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is Cc1nc(NCc2ccccn2)cc(C(=O)Nc2ccccc2Br)n1.
What is the InChIKey of N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is JMLPDTZOEQHRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O/c1-12-22-16(18(25)24-15-8-3-2-7-14(15)19)10-17(23-12)21-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109370811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).