2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid

C9H11N3O3 — CID 83864234

IUPAC2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
SMILESO=C(O)Cc1cc(NC2CC2)nc(=O)[nH]1
InChIInChI=1S/C9H11N3O3/c13-8(14)4-6-3-7(10-5-1-2-5)12-9(15)11-6/h3,5H,1-2,4H2,(H,13,14)(H2,10,11,12,15)
InChIKeyFTJDWMHPPAWEIX-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.03
Rot. Bonds4

About 2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid

2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid (PubChem CID 83864234) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
PubChem CID83864234
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
SMILESO=C(O)Cc1cc(NC2CC2)nc(=O)[nH]1
InChIInChI=1S/C9H11N3O3/c13-8(14)4-6-3-7(10-5-1-2-5)12-9(15)11-6/h3,5H,1-2,4H2,(H,13,14)(H2,10,11,12,15)
InChIKeyFTJDWMHPPAWEIX-UHFFFAOYSA-N
XLogP-0.03
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
The IUPAC name of 2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid (CID 83864234) is 2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid.
What is the SMILES notation for 2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
The canonical SMILES for 2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid is O=C(O)Cc1cc(NC2CC2)nc(=O)[nH]1.
What is the InChIKey of 2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
The InChIKey is FTJDWMHPPAWEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-8(14)4-6-3-7(10-5-1-2-5)12-9(15)11-6/h3,5H,1-2,4H2,(H,13,14)(H2,10,11,12,15).
What are the key properties of 2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid has a molecular weight of 209.20 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid is sourced from PubChem (CID 83864234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).