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

C10H15N3O2 — CID 79798017

IUPAC2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
SMILESCCC(C)(Nc1ccnc(C)n1)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-4-10(3,9(14)15)13-8-5-6-11-7(2)12-8/h5-6H,4H2,1-3H3,(H,14,15)(H,11,12,13)
InChIKeyOEWUSMBMWMIJAQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.45
Rot. Bonds4

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

2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid (PubChem CID 79798017) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
PubChem CID79798017
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
SMILESCCC(C)(Nc1ccnc(C)n1)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-4-10(3,9(14)15)13-8-5-6-11-7(2)12-8/h5-6H,4H2,1-3H3,(H,14,15)(H,11,12,13)
InChIKeyOEWUSMBMWMIJAQ-UHFFFAOYSA-N
XLogP1.45
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 148752104
2-[(2-chloropyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 89350640
2-[(2-methoxycarbonylpyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 79792394
3-methyl-3-[(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 64701760
N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine
CID 103462611
2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79798018
2-ethyl-1-N-(2-methylpyrimidin-4-yl)butane-1,2-diamine
CID 115306100
(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid
CID 122062830
2-(2,6-dimethylanilino)-2-methylbutanoic acid
CID 70558960
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 66332496
N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide
CID 113243784
2-[(2,4-dimethyl-3-pyridinyl)carbamoylamino]-2-methylbutanoic acid
CID 112741948

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid (CID 79798017) is 2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid is CCC(C)(Nc1ccnc(C)n1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid?
The InChIKey is OEWUSMBMWMIJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-10(3,9(14)15)13-8-5-6-11-7(2)12-8/h5-6H,4H2,1-3H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid?
2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 79798017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).