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

C9H11N3O3 — CID 84676616

IUPAC2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESNc1nc(=O)[nH]c(C2CC2)c1CC(=O)O
InChIInChI=1S/C9H11N3O3/c10-8-5(3-6(13)14)7(4-1-2-4)11-9(15)12-8/h4H,1-3H2,(H,13,14)(H3,10,11,12,15)
InChIKeyCCBHBIJTZUXHRD-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.14
Rot. Bonds3

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

2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 84676616) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID84676616
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESNc1nc(=O)[nH]c(C2CC2)c1CC(=O)O
InChIInChI=1S/C9H11N3O3/c10-8-5(3-6(13)14)7(4-1-2-4)11-9(15)12-8/h4H,1-3H2,(H,13,14)(H3,10,11,12,15)
InChIKeyCCBHBIJTZUXHRD-UHFFFAOYSA-N
XLogP-0.14
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.14
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-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid
CID 84678268
2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84688200
3-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84688204
2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84689702
2-(4-amino-6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84689833
2-(4-amino-6-propan-2-yl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84691278
2-(4-amino-6-cyclopentyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84700009

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (CID 84676616) is 2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is Nc1nc(=O)[nH]c(C2CC2)c1CC(=O)O.
What is the InChIKey of 2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is CCBHBIJTZUXHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-8-5(3-6(13)14)7(4-1-2-4)11-9(15)12-8/h4H,1-3H2,(H,13,14)(H3,10,11,12,15).
What are the key properties of 2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 209.20 g/mol, XLogP of -0.14, 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-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 84676616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).