2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid

C8H10N2O3 — CID 135399116

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESCc1nc(C)c(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-4-6(3-7(11)12)8(13)10-5(2)9-4/h3H2,1-2H3,(H,11,12)(H,9,10,13)
InChIKeyVOOQEOLOKRTHEB-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.01
Rot. Bonds2

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 135399116) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID135399116
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESCc1nc(C)c(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-4-6(3-7(11)12)8(13)10-5(2)9-4/h3H2,1-2H3,(H,11,12)(H,9,10,13)
InChIKeyVOOQEOLOKRTHEB-UHFFFAOYSA-N
XLogP0.01
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid (CID 135399116) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid is Cc1nc(C)c(CC(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is VOOQEOLOKRTHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4-6(3-7(11)12)8(13)10-5(2)9-4/h3H2,1-2H3,(H,11,12)(H,9,10,13).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 182.18 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 135399116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).