6-cyclopropyl-2-oxo-1H-pyrimidine-4-carbonitrile

C8H7N3O — CID 39235673

IUPAC6-cyclopropyl-2-oxo-1H-pyrimidine-4-carbonitrile
SMILESN#Cc1cc(C2CC2)[nH]c(=O)n1
InChIInChI=1S/C8H7N3O/c9-4-6-3-7(5-1-2-5)11-8(12)10-6/h3,5H,1-2H2,(H,10,11,12)
InChIKeyWZQHNLUINOQBSK-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.52
Rot. Bonds1

About 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carbonitrile

6-cyclopropyl-2-oxo-1H-pyrimidine-4-carbonitrile (PubChem CID 39235673) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-2-oxo-1H-pyrimidine-4-carbonitrile
PubChem CID39235673
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name6-cyclopropyl-2-oxo-1H-pyrimidine-4-carbonitrile
SMILESN#Cc1cc(C2CC2)[nH]c(=O)n1
InChIInChI=1S/C8H7N3O/c9-4-6-3-7(5-1-2-5)11-8(12)10-6/h3,5H,1-2H2,(H,10,11,12)
InChIKeyWZQHNLUINOQBSK-UHFFFAOYSA-N
XLogP0.52
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 66545639
CID 66545639
CID 39235857
CID 39235857
CID 72208457
CID 72208457
CID 83847328
CID 83847328
CID 83858513
CID 83858513
CID 130056102
CID 130056102
CID 130056132
CID 130056132
CID 130056135
CID 130056135
CID 130056137
CID 130056137

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carbonitrile?
The IUPAC name of 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carbonitrile (CID 39235673) is 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carbonitrile?
The canonical SMILES for 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carbonitrile is N#Cc1cc(C2CC2)[nH]c(=O)n1.
What is the InChIKey of 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carbonitrile?
The InChIKey is WZQHNLUINOQBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-4-6-3-7(5-1-2-5)11-8(12)10-6/h3,5H,1-2H2,(H,10,11,12).
What are the key properties of 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carbonitrile?
6-cyclopropyl-2-oxo-1H-pyrimidine-4-carbonitrile has a molecular weight of 161.16 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-oxo-1H-pyrimidine-4-carbonitrile is sourced from PubChem (CID 39235673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).