6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid

C14H15N3O2 — CID 82299929

IUPAC6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid
SMILESCc1nc(C(=O)O)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C14H15N3O2/c1-10-15-12(14(18)19)8-13(16-10)17(2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyPAWJEOUTSQTMHF-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.12
Rot. Bonds4

About 6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid

6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid (PubChem CID 82299929) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid
PubChem CID82299929
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid
SMILESCc1nc(C(=O)O)cc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C14H15N3O2/c1-10-15-12(14(18)19)8-13(16-10)17(2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyPAWJEOUTSQTMHF-UHFFFAOYSA-N
XLogP2.12
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109369359
[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364267
6-[benzyl(methyl)amino]-N-(2-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109369396
6-[benzyl(methyl)amino]-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369386
6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109369394
6-[benzyl(methyl)amino]-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369385
6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369384
N-(1,3-benzodioxol-5-yl)-6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxamide
CID 109369426
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369404
6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-2-methylpyrimidine-4-carboxamide
CID 109369353
N-[4-[[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112872267
2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43343644

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid (CID 82299929) is 6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid is Cc1nc(C(=O)O)cc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid?
The InChIKey is PAWJEOUTSQTMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-15-12(14(18)19)8-13(16-10)17(2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid?
6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82299929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).