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

C11H15ClN2O2 — CID 114581965

IUPAC6-chloro-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC1CCCCO1
InChIInChI=1S/C11H15ClN2O2/c1-8-13-10(12)6-11(15)14(8)7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3
InChIKeyROVCHPQSJQYMBR-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.77
Rot. Bonds2

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

6-chloro-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one (PubChem CID 114581965) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one
PubChem CID114581965
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name6-chloro-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC1CCCCO1
InChIInChI=1S/C11H15ClN2O2/c1-8-13-10(12)6-11(15)14(8)7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3
InChIKeyROVCHPQSJQYMBR-UHFFFAOYSA-N
XLogP1.77
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.77
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-(oxan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one (CID 114581965) is 6-chloro-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CC1CCCCO1.
What is the InChIKey of 6-chloro-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is ROVCHPQSJQYMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8-13-10(12)6-11(15)14(8)7-9-4-2-3-5-16-9/h6,9H,2-5,7H2,1H3.
What are the key properties of 6-chloro-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one?
6-chloro-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 242.71 g/mol, XLogP of 1.77, 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-(oxan-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 114581965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).