2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid

C10H13N3O3 — CID 84688200

IUPAC2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESNc1nc(=O)[nH]c(C2CCC2)c1CC(=O)O
InChIInChI=1S/C10H13N3O3/c11-9-6(4-7(14)15)8(5-2-1-3-5)12-10(16)13-9/h5H,1-4H2,(H,14,15)(H3,11,12,13,16)
InChIKeyKSIQFAAWHFHJKI-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.25
Rot. Bonds3

About 2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid

2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 84688200) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID84688200
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESNc1nc(=O)[nH]c(C2CCC2)c1CC(=O)O
InChIInChI=1S/C10H13N3O3/c11-9-6(4-7(14)15)8(5-2-1-3-5)12-10(16)13-9/h5H,1-4H2,(H,14,15)(H3,11,12,13,16)
InChIKeyKSIQFAAWHFHJKI-UHFFFAOYSA-N
XLogP0.25
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84658880
2-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84667440
2-(6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84675924
2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84676616
2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid
CID 84678268
2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84689702
3-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)propanoic acid
CID 84689708
2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84700009
3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84700015
2-(4-amino-6-cyclobutyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84701331

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (CID 84688200) is 2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is Nc1nc(=O)[nH]c(C2CCC2)c1CC(=O)O.
What is the InChIKey of 2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is KSIQFAAWHFHJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-9-6(4-7(14)15)8(5-2-1-3-5)12-10(16)13-9/h5H,1-4H2,(H,14,15)(H3,11,12,13,16).
What are the key properties of 2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 84688200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).