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

C12H19N3O2 — CID 115529576

IUPAC2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1ccnc(C)n1)C(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O2/c1-5-15(12(3,4)11(16)17)8-10-6-7-13-9(2)14-10/h6-7H,5,8H2,1-4H3,(H,16,17)
InChIKeyQMIQNYHMOIBQBT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.47
Rot. Bonds5

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

2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid (PubChem CID 115529576) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid
PubChem CID115529576
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1ccnc(C)n1)C(C)(C)C(=O)O
InChIInChI=1S/C12H19N3O2/c1-5-15(12(3,4)11(16)17)8-10-6-7-13-9(2)14-10/h6-7H,5,8H2,1-4H3,(H,16,17)
InChIKeyQMIQNYHMOIBQBT-UHFFFAOYSA-N
XLogP1.47
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[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-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid
CID 79261729
3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid
CID 115529580
3,3-dimethyl-1-(2-methylpyrimidin-4-yl)butan-2-one
CID 63199109
N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine
CID 113328871
2,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 82821483
2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid
CID 79234102
2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62820490
2-[ethyl-[(2,4,5-trimethylphenyl)methyl]amino]-2-methylpropanoic acid
CID 114078382
2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
CID 115529611
2-[1,3-benzothiazol-2-ylmethyl(ethyl)amino]-2-methylpropanoic acid
CID 62820956
2-[(2-methylpyrimidin-4-yl)methyl-prop-2-enylamino]acetic acid
CID 115529713
2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 106752589

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid (CID 115529576) is 2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid is CCN(Cc1ccnc(C)n1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid?
The InChIKey is QMIQNYHMOIBQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-15(12(3,4)11(16)17)8-10-6-7-13-9(2)14-10/h6-7H,5,8H2,1-4H3,(H,16,17).
What are the key properties of 2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 115529576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).