4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid

C14H15N3O2 — CID 115148967

IUPAC4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid
SMILESCc1ccccc1CN(C)c1ncncc1C(=O)O
InChIInChI=1S/C14H15N3O2/c1-10-5-3-4-6-11(10)8-17(2)13-12(14(18)19)7-15-9-16-13/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyGZFUGAWTRPHJHC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.12
Rot. Bonds4

About 4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid

4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid (PubChem CID 115148967) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid
PubChem CID115148967
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid
SMILESCc1ccccc1CN(C)c1ncncc1C(=O)O
InChIInChI=1S/C14H15N3O2/c1-10-5-3-4-6-11(10)8-17(2)13-12(14(18)19)7-15-9-16-13/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyGZFUGAWTRPHJHC-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

4-[methyl(2-phenylethyl)amino]pyrimidine-5-carboxylic acid
CID 114214476
4-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carboxylic acid
CID 115148987
5-amino-2-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxamide
CID 61359375
6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 61411567
4-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]pyrimidine-5-carboxylic acid
CID 115149008
2-bromo-4-[methyl-[(2-methylphenyl)methyl]amino]benzoic acid
CID 107281987
4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 115148973
2-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzoic acid
CID 104548755
4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid
CID 115148880
methyl 4-(N,2-dimethylanilino)pyrimidine-5-carboxylate
CID 114214335
4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81232826
5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 80629685

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid (CID 115148967) is 4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid is Cc1ccccc1CN(C)c1ncncc1C(=O)O.
What is the InChIKey of 4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid?
The InChIKey is GZFUGAWTRPHJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-5-3-4-6-11(10)8-17(2)13-12(14(18)19)7-15-9-16-13/h3-7,9H,8H2,1-2H3,(H,18,19).
What are the key properties of 4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid?
4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-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 4-[methyl-[(2-methylphenyl)methyl]amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 115148967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).