1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one

C15H15ClN2O2 — CID 99976883

IUPAC1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2nc(C)cc(Cl)n2)cc1
InChIInChI=1S/C15H15ClN2O2/c1-3-13(19)11-4-6-12(7-5-11)20-9-15-17-10(2)8-14(16)18-15/h4-8H,3,9H2,1-2H3
InChIKeyPQRDBFYCGZXCRW-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.61
Rot. Bonds5

About 1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one

1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one (PubChem CID 99976883) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one
PubChem CID99976883
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2nc(C)cc(Cl)n2)cc1
InChIInChI=1S/C15H15ClN2O2/c1-3-13(19)11-4-6-12(7-5-11)20-9-15-17-10(2)8-14(16)18-15/h4-8H,3,9H2,1-2H3
InChIKeyPQRDBFYCGZXCRW-UHFFFAOYSA-N
XLogP3.61
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine
CID 80664866
4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine
CID 15561342
4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine
CID 82169633
3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-5-methoxybenzonitrile
CID 103566676
3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline
CID 80664031
1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one
CID 63984310
4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
CID 15561345
4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methoxy]benzoic acid
CID 100802415
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
6-chloro-2-(phenoxymethyl)pyrimidine-4-carboxylic acid
CID 82168815
1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]propan-1-one
CID 43823601
1-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]propan-1-one
CID 112787371

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one (CID 99976883) is 1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCc2nc(C)cc(Cl)n2)cc1.
What is the InChIKey of 1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one?
The InChIKey is PQRDBFYCGZXCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-3-13(19)11-4-6-12(7-5-11)20-9-15-17-10(2)8-14(16)18-15/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one?
1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one has a molecular weight of 290.75 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 99976883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).