N-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide

C8H9N3O2 — CID 123394548

IUPACN-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nccc(=O)[nH]1)C1CC1
InChIInChI=1S/C8H9N3O2/c12-6-3-4-9-8(10-6)11-7(13)5-1-2-5/h3-5H,1-2H2,(H2,9,10,11,12,13)
InChIKeyOURUSAWOTKDNKL-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.12
Rot. Bonds2

About N-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide

N-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide (PubChem CID 123394548) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is N-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide
PubChem CID123394548
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC NameN-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nccc(=O)[nH]1)C1CC1
InChIInChI=1S/C8H9N3O2/c12-6-3-4-9-8(10-6)11-7(13)5-1-2-5/h3-5H,1-2H2,(H2,9,10,11,12,13)
InChIKeyOURUSAWOTKDNKL-UHFFFAOYSA-N
XLogP0.12
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Cyclopropylmethylamino)-3-methylpyrimidin-4-one
CID 90973391
4-methyl-N-(6-oxo-1H-pyrimidin-2-yl)pentanamide
CID 130214702
N-(6-oxo-1H-pyrimidin-2-yl)butanamide
CID 130251726
2-methyl-N-(6-oxo-1H-pyrimidin-2-yl)propanamide
CID 162360736
2-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 129914736

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide (CID 123394548) is N-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide is O=C(Nc1nccc(=O)[nH]1)C1CC1.
What is the InChIKey of N-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide?
The InChIKey is OURUSAWOTKDNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-6-3-4-9-8(10-6)11-7(13)5-1-2-5/h3-5H,1-2H2,(H2,9,10,11,12,13).
What are the key properties of N-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide?
N-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide has a molecular weight of 179.18 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 123394548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).