2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid

C10H15N3O3 — CID 42609112

IUPAC2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)c1cnc(N)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-3-10(4-2,8(15)16)6-5-12-9(11)13-7(6)14/h5H,3-4H2,1-2H3,(H,15,16)(H3,11,12,13,14)
InChIKeyLTDWVMZPDMBXQG-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.49
Rot. Bonds4

About 2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid

2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid (PubChem CID 42609112) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid
PubChem CID42609112
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)c1cnc(N)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-3-10(4-2,8(15)16)6-5-12-9(11)13-7(6)14/h5H,3-4H2,1-2H3,(H,15,16)(H3,11,12,13,14)
InChIKeyLTDWVMZPDMBXQG-UHFFFAOYSA-N
XLogP0.49
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid?
The IUPAC name of 2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid (CID 42609112) is 2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid.
What is the SMILES notation for 2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid?
The canonical SMILES for 2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid is CCC(CC)(C(=O)O)c1cnc(N)[nH]c1=O.
What is the InChIKey of 2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid?
The InChIKey is LTDWVMZPDMBXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-10(4-2,8(15)16)6-5-12-9(11)13-7(6)14/h5H,3-4H2,1-2H3,(H,15,16)(H3,11,12,13,14).
What are the key properties of 2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid?
2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-ethylbutanoic acid is sourced from PubChem (CID 42609112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).