2-(4-methylidene-2-oxo-1H-pyrimidin-6-yl)acetic acid

C7H8N2O3 — CID 145472169

IUPAC2-(4-methylidene-2-oxo-1H-pyrimidin-6-yl)acetic acid
SMILESC=C1C=C(CC(=O)O)NC(=O)N1
InChIInChI=1S/C7H8N2O3/c1-4-2-5(3-6(10)11)9-7(12)8-4/h2H,1,3H2,(H,10,11)(H2,8,9,12)
InChIKeyIQAHTGHXGCMFJQ-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.17
Rot. Bonds2

About 2-(4-methylidene-2-oxo-1H-pyrimidin-6-yl)acetic acid

2-(4-methylidene-2-oxo-1H-pyrimidin-6-yl)acetic acid (PubChem CID 145472169) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(4-methylidene-2-oxo-1H-pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methylidene-2-oxo-1H-pyrimidin-6-yl)acetic acid
PubChem CID145472169
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(4-methylidene-2-oxo-1H-pyrimidin-6-yl)acetic acid
SMILESC=C1C=C(CC(=O)O)NC(=O)N1
InChIInChI=1S/C7H8N2O3/c1-4-2-5(3-6(10)11)9-7(12)8-4/h2H,1,3H2,(H,10,11)(H2,8,9,12)
InChIKeyIQAHTGHXGCMFJQ-UHFFFAOYSA-N
XLogP0.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-Dioxo-1,3-dihydropyrimidin-4-yl)acetic acid, oxamethane
CID 18529801
2-(2-Amino-1,2-dihydropyridin-6-yl)acetic acid
CID 86340944

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylidene-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(4-methylidene-2-oxo-1H-pyrimidin-6-yl)acetic acid (CID 145472169) is 2-(4-methylidene-2-oxo-1H-pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(4-methylidene-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(4-methylidene-2-oxo-1H-pyrimidin-6-yl)acetic acid is C=C1C=C(CC(=O)O)NC(=O)N1.
What is the InChIKey of 2-(4-methylidene-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The InChIKey is IQAHTGHXGCMFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-2-5(3-6(10)11)9-7(12)8-4/h2H,1,3H2,(H,10,11)(H2,8,9,12).
What are the key properties of 2-(4-methylidene-2-oxo-1H-pyrimidin-6-yl)acetic acid?
2-(4-methylidene-2-oxo-1H-pyrimidin-6-yl)acetic acid has a molecular weight of 168.15 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylidene-2-oxo-1H-pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 145472169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).