2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C10H12N2O4 — CID 116728168

IUPAC2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC1(c2ncc(C(=O)O)c(=O)[nH]2)CCC1
InChIInChI=1S/C10H12N2O4/c1-16-10(3-2-4-10)9-11-5-6(8(14)15)7(13)12-9/h5H,2-4H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyLNMGZWOTGFSTHK-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.49
Rot. Bonds3

About 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 116728168) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID116728168
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC1(c2ncc(C(=O)O)c(=O)[nH]2)CCC1
InChIInChI=1S/C10H12N2O4/c1-16-10(3-2-4-10)9-11-5-6(8(14)15)7(13)12-9/h5H,2-4H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyLNMGZWOTGFSTHK-UHFFFAOYSA-N
XLogP0.49
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 116728168) is 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is COC1(c2ncc(C(=O)O)c(=O)[nH]2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is LNMGZWOTGFSTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-16-10(3-2-4-10)9-11-5-6(8(14)15)7(13)12-9/h5H,2-4H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116728168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).