2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid

C10H14N2O3 — CID 84677639

IUPAC2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid
SMILESCC(C)Cc1cnc(CC(=O)O)[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-6(2)3-7-5-11-8(4-9(13)14)12-10(7)15/h5-6H,3-4H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyMWBQUGIXFDVKKT-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.60
Rot. Bonds4

About 2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid

2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid (PubChem CID 84677639) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid
PubChem CID84677639
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid
SMILESCC(C)Cc1cnc(CC(=O)O)[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-6(2)3-7-5-11-8(4-9(13)14)12-10(7)15/h5-6H,3-4H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyMWBQUGIXFDVKKT-UHFFFAOYSA-N
XLogP0.60
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260668
3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid
CID 84666763
5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 84686950
2-[2-[(4-chlorophenyl)methyl]-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 53214781
2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 84658879
2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 83851930
2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 83699172
5-iodo-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 66316159
2-[5-(2-methylpropyl)-2-oxo-1,3-dihydroimidazol-4-yl]acetic acid
CID 84733610
2-[[2-(2-butyl-6-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
CID 90702478
2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83852236
6-oxo-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidine-5-carboxylic acid
CID 65131337

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid (CID 84677639) is 2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid is CC(C)Cc1cnc(CC(=O)O)[nH]c1=O.
What is the InChIKey of 2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid?
The InChIKey is MWBQUGIXFDVKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)3-7-5-11-8(4-9(13)14)12-10(7)15/h5-6H,3-4H2,1-2H3,(H,13,14)(H,11,12,15).
What are the key properties of 2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid?
2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid is sourced from PubChem (CID 84677639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).