5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one

C13H13ClN2O2 — CID 15650482

IUPAC5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one
SMILESCC(OCc1ccccc1)n1cc(Cl)cnc1=O
InChIInChI=1S/C13H13ClN2O2/c1-10(16-8-12(14)7-15-13(16)17)18-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyJCUXCKRNXRWPEJ-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.63
Rot. Bonds4

About 5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one

5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one (PubChem CID 15650482) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one.

Molecular Properties

Compound Name5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one
PubChem CID15650482
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one
SMILESCC(OCc1ccccc1)n1cc(Cl)cnc1=O
InChIInChI=1S/C13H13ClN2O2/c1-10(16-8-12(14)7-15-13(16)17)18-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyJCUXCKRNXRWPEJ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
1-chloroethoxymethylbenzene
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1-(1-phenylmethoxyethyl)-4,5-dihydroimidazole
CID 174768591
4-chloro-1-phenylmethoxypyrazole
CID 91619331
(3R)-3-phenylmethoxybutanoyl chloride
CID 13496815
(2R,4S)-2,3-dimethyl-4-phenylmethoxypentanoic acid
CID 134864943
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine
CID 22958392
2-phenylmethoxybutanoic acid
CID 11816388
benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate
CID 7019780
2-amino-3-phenylmethoxybutanoic acid;hydrochloride
CID 53434211
methyl (2S)-3-methyl-2-phenylmethoxybutanoate
CID 11096185

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one?
The IUPAC name of 5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one (CID 15650482) is 5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one.
What is the SMILES notation for 5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one?
The canonical SMILES for 5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one is CC(OCc1ccccc1)n1cc(Cl)cnc1=O.
What is the InChIKey of 5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one?
The InChIKey is JCUXCKRNXRWPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-10(16-8-12(14)7-15-13(16)17)18-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3.
What are the key properties of 5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one?
5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one has a molecular weight of 264.71 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one is sourced from PubChem (CID 15650482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).