2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetic acid

C8H10N2O3 — CID 84658328

IUPAC2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetic acid
SMILESCc1cc(=O)n(C)c(CC(=O)O)n1
InChIInChI=1S/C8H10N2O3/c1-5-3-7(11)10(2)6(9-5)4-8(12)13/h3H,4H2,1-2H3,(H,12,13)
InChIKeyVRRIIKOVYOQPKE-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.28
Rot. Bonds2

About 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetic acid

2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetic acid (PubChem CID 84658328) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetic acid
PubChem CID84658328
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetic acid
SMILESCc1cc(=O)n(C)c(CC(=O)O)n1
InChIInChI=1S/C8H10N2O3/c1-5-3-7(11)10(2)6(9-5)4-8(12)13/h3H,4H2,1-2H3,(H,12,13)
InChIKeyVRRIIKOVYOQPKE-UHFFFAOYSA-N
XLogP-0.28
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetic acid (CID 84658328) is 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetic acid is Cc1cc(=O)n(C)c(CC(=O)O)n1.
What is the InChIKey of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetic acid?
The InChIKey is VRRIIKOVYOQPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-3-7(11)10(2)6(9-5)4-8(12)13/h3H,4H2,1-2H3,(H,12,13).
What are the key properties of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetic acid?
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetic acid has a molecular weight of 182.18 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetic acid is sourced from PubChem (CID 84658328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).