2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid

C15H17N3O2 — CID 83181251

IUPAC2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCCc1ccccc1CNc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C15H17N3O2/c1-3-11-6-4-5-7-12(11)8-16-15-17-9-13(14(19)20)10(2)18-15/h4-7,9H,3,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyRJVOZYJSVCFHEN-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.66
Rot. Bonds5

About 2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid

2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83181251) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
PubChem CID83181251
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
SMILESCCc1ccccc1CNc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C15H17N3O2/c1-3-11-6-4-5-7-12(11)8-16-15-17-9-13(14(19)20)10(2)18-15/h4-7,9H,3,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyRJVOZYJSVCFHEN-UHFFFAOYSA-N
XLogP2.66
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid
CID 83181382
4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid
CID 106896468
N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine
CID 64693238
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid
CID 83181391
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181383
2-[(4-fluoro-3,5-dimethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83180580
4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid
CID 83181314
2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809
3-amino-2-[(2-ethylphenyl)methylamino]benzoic acid
CID 115935137
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182016

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid (CID 83181251) is 2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid is CCc1ccccc1CNc1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is RJVOZYJSVCFHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-11-6-4-5-7-12(11)8-16-15-17-9-13(14(19)20)10(2)18-15/h4-7,9H,3,8H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid?
2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).