6-chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one

C10H13ClN2O2 — CID 114581668

IUPAC6-chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC1CCCO1
InChIInChI=1S/C10H13ClN2O2/c1-7-12-9(11)5-10(14)13(7)6-8-3-2-4-15-8/h5,8H,2-4,6H2,1H3
InChIKeyYJFKFJLACWCVHV-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.38
Rot. Bonds2

About 6-chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one

6-chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one (PubChem CID 114581668) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
PubChem CID114581668
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name6-chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC1CCCO1
InChIInChI=1S/C10H13ClN2O2/c1-7-12-9(11)5-10(14)13(7)6-8-3-2-4-15-8/h5,8H,2-4,6H2,1H3
InChIKeyYJFKFJLACWCVHV-UHFFFAOYSA-N
XLogP1.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one (CID 114581668) is 6-chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CC1CCCO1.
What is the InChIKey of 6-chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is YJFKFJLACWCVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-7-12-9(11)5-10(14)13(7)6-8-3-2-4-15-8/h5,8H,2-4,6H2,1H3.
What are the key properties of 6-chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
6-chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 228.68 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 114581668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).