6-chloro-3-cyclopropylpyrimidin-4-one

C7H7ClN2O — CID 119030366

IUPAC6-chloro-3-cyclopropylpyrimidin-4-one
SMILESO=c1cc(Cl)ncn1C1CC1
InChIInChI=1S/C7H7ClN2O/c8-6-3-7(11)10(4-9-6)5-1-2-5/h3-5H,1-2H2
InChIKeyYTVAUFQHJKKJOV-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.23
Rot. Bonds1

About 6-chloro-3-cyclopropylpyrimidin-4-one

6-chloro-3-cyclopropylpyrimidin-4-one (PubChem CID 119030366) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 6-chloro-3-cyclopropylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-cyclopropylpyrimidin-4-one
PubChem CID119030366
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name6-chloro-3-cyclopropylpyrimidin-4-one
SMILESO=c1cc(Cl)ncn1C1CC1
InChIInChI=1S/C7H7ClN2O/c8-6-3-7(11)10(4-9-6)5-1-2-5/h3-5H,1-2H2
InChIKeyYTVAUFQHJKKJOV-UHFFFAOYSA-N
XLogP1.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclopropylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-cyclopropylpyrimidin-4-one (CID 119030366) is 6-chloro-3-cyclopropylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-cyclopropylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-cyclopropylpyrimidin-4-one is O=c1cc(Cl)ncn1C1CC1.
What is the InChIKey of 6-chloro-3-cyclopropylpyrimidin-4-one?
The InChIKey is YTVAUFQHJKKJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-6-3-7(11)10(4-9-6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 6-chloro-3-cyclopropylpyrimidin-4-one?
6-chloro-3-cyclopropylpyrimidin-4-one has a molecular weight of 170.60 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclopropylpyrimidin-4-one is sourced from PubChem (CID 119030366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).