2-cyclopropyl-1H-pyrimidin-6-one

C7H8N2O — CID 20504164

IUPAC2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CC2)[nH]1
InChIInChI=1S/C7H8N2O/c10-6-3-4-8-7(9-6)5-1-2-5/h3-5H,1-2H2,(H,8,9,10)
InChIKeyHADXIKCWXJVQEO-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.65
Rot. Bonds1

About 2-cyclopropyl-1H-pyrimidin-6-one

2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 20504164) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID20504164
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CC2)[nH]1
InChIInChI=1S/C7H8N2O/c10-6-3-4-8-7(9-6)5-1-2-5/h3-5H,1-2H2,(H,8,9,10)
InChIKeyHADXIKCWXJVQEO-UHFFFAOYSA-N
XLogP0.65
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-1H-pyrimidin-6-one (CID 20504164) is 2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-1H-pyrimidin-6-one is O=c1ccnc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is HADXIKCWXJVQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-6-3-4-8-7(9-6)5-1-2-5/h3-5H,1-2H2,(H,8,9,10).
What are the key properties of 2-cyclopropyl-1H-pyrimidin-6-one?
2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 136.15 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 20504164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).