5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one

C13H13ClN2O2 — CID 15650491

IUPAC5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one
SMILESCc1ccc(COCn2cc(Cl)cnc2=O)cc1
InChIInChI=1S/C13H13ClN2O2/c1-10-2-4-11(5-3-10)8-18-9-16-7-12(14)6-15-13(16)17/h2-7H,8-9H2,1H3
InChIKeyVWTZWDVLFLKPMK-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.38
Rot. Bonds4

About 5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one

5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one (PubChem CID 15650491) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one
PubChem CID15650491
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one
SMILESCc1ccc(COCn2cc(Cl)cnc2=O)cc1
InChIInChI=1S/C13H13ClN2O2/c1-10-2-4-11(5-3-10)8-18-9-16-7-12(14)6-15-13(16)17/h2-7H,8-9H2,1H3
InChIKeyVWTZWDVLFLKPMK-UHFFFAOYSA-N
XLogP2.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one?
The IUPAC name of 5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one (CID 15650491) is 5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one.
What is the SMILES notation for 5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one?
The canonical SMILES for 5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one is Cc1ccc(COCn2cc(Cl)cnc2=O)cc1.
What is the InChIKey of 5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one?
The InChIKey is VWTZWDVLFLKPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-10-2-4-11(5-3-10)8-18-9-16-7-12(14)6-15-13(16)17/h2-7H,8-9H2,1H3.
What are the key properties of 5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one?
5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one has a molecular weight of 264.71 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-methylphenyl)methoxymethyl]pyrimidin-2-one is sourced from PubChem (CID 15650491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).