2-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)acetic acid

C10H14N2O3 — CID 135907639

IUPAC2-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)acetic acid
SMILESCc1nc(C(C)C)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C10H14N2O3/c1-5(2)9-11-6(3)7(4-8(13)14)10(15)12-9/h5H,4H2,1-3H3,(H,13,14)(H,11,12,15)
InChIKeyDXMYTDSUUHSGNE-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.83
Rot. Bonds3

About 2-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)acetic acid

2-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)acetic acid (PubChem CID 135907639) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)acetic acid
PubChem CID135907639
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)acetic acid
SMILESCc1nc(C(C)C)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C10H14N2O3/c1-5(2)9-11-6(3)7(4-8(13)14)10(15)12-9/h5H,4H2,1-3H3,(H,13,14)(H,11,12,15)
InChIKeyDXMYTDSUUHSGNE-UHFFFAOYSA-N
XLogP0.83
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)acetic acid (CID 135907639) is 2-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)acetic acid is Cc1nc(C(C)C)[nH]c(=O)c1CC(=O)O.
What is the InChIKey of 2-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is DXMYTDSUUHSGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-5(2)9-11-6(3)7(4-8(13)14)10(15)12-9/h5H,4H2,1-3H3,(H,13,14)(H,11,12,15).
What are the key properties of 2-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)acetic acid?
2-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 135907639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).