2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid

C9H13N3O3 — CID 83857335

IUPAC2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)c1cc(N)nc(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-4(2)7(8(13)14)5-3-6(10)12-9(15)11-5/h3-4,7H,1-2H3,(H,13,14)(H3,10,11,12,15)
InChIKeyFGUMNPAPMQCNFS-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.18
Rot. Bonds3

About 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid

2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid (PubChem CID 83857335) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
PubChem CID83857335
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)c1cc(N)nc(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-4(2)7(8(13)14)5-3-6(10)12-9(15)11-5/h3-4,7H,1-2H3,(H,13,14)(H3,10,11,12,15)
InChIKeyFGUMNPAPMQCNFS-UHFFFAOYSA-N
XLogP0.18
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxy-6-isobutylpyrimidine-4-carboxylic acid
CID 6484120
6-butan-2-yl-2-oxo-1H-pyrimidine-4-carboxylic acid
CID 81345800
2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid
CID 83852050
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 83857320
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 83857327
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857328
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
CID 83857330
1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid
CID 83857331
4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857337
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857354
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
CID 83857355
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
CID 83857356

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid?
The IUPAC name of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid (CID 83857335) is 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid.
What is the SMILES notation for 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid?
The canonical SMILES for 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid is CC(C)C(C(=O)O)c1cc(N)nc(=O)[nH]1.
What is the InChIKey of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid?
The InChIKey is FGUMNPAPMQCNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-4(2)7(8(13)14)5-3-6(10)12-9(15)11-5/h3-4,7H,1-2H3,(H,13,14)(H3,10,11,12,15).
What are the key properties of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid?
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid is sourced from PubChem (CID 83857335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).