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

C9H13N3O3 — CID 84678268

IUPAC2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid
SMILESCC(C)c1[nH]c(=O)nc(N)c1CC(=O)O
InChIInChI=1S/C9H13N3O3/c1-4(2)7-5(3-6(13)14)8(10)12-9(15)11-7/h4H,3H2,1-2H3,(H,13,14)(H3,10,11,12,15)
InChIKeyUHQZCURTRDPTIK-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.10
Rot. Bonds3

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

2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid (PubChem CID 84678268) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid
PubChem CID84678268
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid
SMILESCC(C)c1[nH]c(=O)nc(N)c1CC(=O)O
InChIInChI=1S/C9H13N3O3/c1-4(2)7-5(3-6(13)14)8(10)12-9(15)11-7/h4H,3H2,1-2H3,(H,13,14)(H3,10,11,12,15)
InChIKeyUHQZCURTRDPTIK-UHFFFAOYSA-N
XLogP0.10
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-oxo-6-propan-2-yl-1H-pyrimidine-4-carboxylic acid
CID 81346641
6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid
CID 81346730
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857354
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
CID 83857355
2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84658880
2-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84667440
2-(4-amino-6-methyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84668885
2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84676616
3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84678272
2-(4-amino-6-ethyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84679769
2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84688200
2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84689702

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid (CID 84678268) is 2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid is CC(C)c1[nH]c(=O)nc(N)c1CC(=O)O.
What is the InChIKey of 2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is UHQZCURTRDPTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-4(2)7-5(3-6(13)14)8(10)12-9(15)11-7/h4H,3H2,1-2H3,(H,13,14)(H3,10,11,12,15).
What are the key properties of 2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid?
2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 84678268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).