6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one

C8H9ClN2O — CID 114582159

IUPAC6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CC1CC1
InChIInChI=1S/C8H9ClN2O/c9-7-3-8(12)11(5-10-7)4-6-1-2-6/h3,5-6H,1-2,4H2
InChIKeyODMPOUGPEOKVBQ-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.31
Rot. Bonds2

About 6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one

6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one (PubChem CID 114582159) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one
PubChem CID114582159
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CC1CC1
InChIInChI=1S/C8H9ClN2O/c9-7-3-8(12)11(5-10-7)4-6-1-2-6/h3,5-6H,1-2,4H2
InChIKeyODMPOUGPEOKVBQ-UHFFFAOYSA-N
XLogP1.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one (CID 114582159) is 6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one is O=c1cc(Cl)ncn1CC1CC1.
What is the InChIKey of 6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one?
The InChIKey is ODMPOUGPEOKVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-7-3-8(12)11(5-10-7)4-6-1-2-6/h3,5-6H,1-2,4H2.
What are the key properties of 6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one?
6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one has a molecular weight of 184.63 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one is sourced from PubChem (CID 114582159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).