3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid

C12H19N3O2 — CID 115529580

IUPAC3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1ccnc(C)n1)CC(C)C(=O)O
InChIInChI=1S/C12H19N3O2/c1-4-15(7-9(2)12(16)17)8-11-5-6-13-10(3)14-11/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyDFAHUGOLKQRNPR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.33
Rot. Bonds6

About 3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid

3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid (PubChem CID 115529580) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid
PubChem CID115529580
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1ccnc(C)n1)CC(C)C(=O)O
InChIInChI=1S/C12H19N3O2/c1-4-15(7-9(2)12(16)17)8-11-5-6-13-10(3)14-11/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyDFAHUGOLKQRNPR-UHFFFAOYSA-N
XLogP1.33
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
CID 115529611
3-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 64784229
3-[(1-butan-2-ylpyrazol-3-yl)methyl-ethylamino]-2-methylpropanoic acid
CID 64784228
2-[(2-methylpyrimidin-4-yl)methyl-prop-2-enylamino]acetic acid
CID 115529713
2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid
CID 115529576
3-[ethyl-[(1-methylimidazol-2-yl)methyl]amino]-2-methylpropanoic acid
CID 62852079
3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl-ethylamino]-2-methylpropanoic acid
CID 62853684
3-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 55122571
3-[ethyl(propyl)amino]-2-methylpropanoic acid
CID 43538770
2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 114897739
N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine
CID 113328871
3-[(2-chloro-4-methylphenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 106865226

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid (CID 115529580) is 3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid is CCN(Cc1ccnc(C)n1)CC(C)C(=O)O.
What is the InChIKey of 3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid?
The InChIKey is DFAHUGOLKQRNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-15(7-9(2)12(16)17)8-11-5-6-13-10(3)14-11/h5-6,9H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of 3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid?
3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 115529580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).