2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid

C11H17N3O3 — CID 136972300

IUPAC2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid
SMILESCCC(C)(CNc1cc(=O)[nH]c(C)n1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-4-11(3,10(16)17)6-12-8-5-9(15)14-7(2)13-8/h5H,4,6H2,1-3H3,(H,16,17)(H2,12,13,14,15)
InChIKeyMJADMJMSBFJZTB-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.99
Rot. Bonds5

About 2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid

2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid (PubChem CID 136972300) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid
PubChem CID136972300
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid
SMILESCCC(C)(CNc1cc(=O)[nH]c(C)n1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-4-11(3,10(16)17)6-12-8-5-9(15)14-7(2)13-8/h5H,4,6H2,1-3H3,(H,16,17)(H2,12,13,14,15)
InChIKeyMJADMJMSBFJZTB-UHFFFAOYSA-N
XLogP0.99
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid with MolForge

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Related Compounds

2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid
CID 136972236
N,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 137003214
2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one
CID 136977126
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136987605
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912
4,4-dimethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 136932111
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136849675
3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136845289
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid?
The IUPAC name of 2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid (CID 136972300) is 2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid?
The canonical SMILES for 2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid is CCC(C)(CNc1cc(=O)[nH]c(C)n1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid?
The InChIKey is MJADMJMSBFJZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-11(3,10(16)17)6-12-8-5-9(15)14-7(2)13-8/h5H,4,6H2,1-3H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid?
2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid is sourced from PubChem (CID 136972300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).