2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid

C11H17N3O2 — CID 65226929

IUPAC2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid
SMILESCCC(CNc1nc(C)cc(C)n1)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-4-9(10(15)16)6-12-11-13-7(2)5-8(3)14-11/h5,9H,4,6H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyQNGYDDDNOWLRDF-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.62
Rot. Bonds5

About 2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid

2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid (PubChem CID 65226929) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid
PubChem CID65226929
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid
SMILESCCC(CNc1nc(C)cc(C)n1)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-4-9(10(15)16)6-12-11-13-7(2)5-8(3)14-11/h5,9H,4,6H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyQNGYDDDNOWLRDF-UHFFFAOYSA-N
XLogP1.62
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic 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

4,4-dimethyl-2-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]pentanoic acid
CID 107475049
2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid
CID 115973104
2-[(pyrimidin-2-ylamino)methyl]butanoic acid
CID 65226732
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
CID 106108618
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62876566
4,6-dimethyl-N-(2-methylbutyl)pyrimidin-2-amine
CID 62694170
2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid
CID 65226722
2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid
CID 115249694
1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
CID 43395852
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 61362808
2-methyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112634458
3-[(4,6-dimethylpyrimidin-2-yl)amino]-1,1-difluoropropan-2-ol
CID 103858194

Frequently Asked Questions

What is the IUPAC name of 2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid (CID 65226929) is 2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid is CCC(CNc1nc(C)cc(C)n1)C(=O)O.
What is the InChIKey of 2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid?
The InChIKey is QNGYDDDNOWLRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-9(10(15)16)6-12-11-13-7(2)5-8(3)14-11/h5,9H,4,6H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid?
2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]butanoic acid is sourced from PubChem (CID 65226929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).