1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone

C16H15ClN2O2S — CID 133421952

IUPAC1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1Sc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C16H15ClN2O2S/c1-9(20)11-5-6-13(12(7-11)21-2)22-15-8-14(17)18-16(19-15)10-3-4-10/h5-8,10H,3-4H2,1-2H3
InChIKeyQZKHTKZZACFGFV-UHFFFAOYSA-N
MW334.83 g/mol
LogP4.37
Rot. Bonds5

About 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone

1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone (PubChem CID 133421952) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone
PubChem CID133421952
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1Sc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C16H15ClN2O2S/c1-9(20)11-5-6-13(12(7-11)21-2)22-15-8-14(17)18-16(19-15)10-3-4-10/h5-8,10H,3-4H2,1-2H3
InChIKeyQZKHTKZZACFGFV-UHFFFAOYSA-N
XLogP4.37
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine
CID 80951106
1-[4-(2-hydroxycyclohexyl)sulfanyl-3-methoxyphenyl]ethanone
CID 75439582
1-[4-[(1S,2R)-2-hydroxycyclohexyl]sulfanyl-3-methoxyphenyl]ethanone
CID 97160682
4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine
CID 80951915
4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine
CID 80951552
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
3-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-2-ol
CID 103880271
4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine
CID 80944786
4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine
CID 80948365
1-(3-cyclopentyl-4-methoxyphenyl)ethanone
CID 84683848
1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052432
2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine
CID 114070766

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone (CID 133421952) is 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone is COc1cc(C(C)=O)ccc1Sc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone?
The InChIKey is QZKHTKZZACFGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-9(20)11-5-6-13(12(7-11)21-2)22-15-8-14(17)18-16(19-15)10-3-4-10/h5-8,10H,3-4H2,1-2H3.
What are the key properties of 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone?
1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone has a molecular weight of 334.83 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone is sourced from PubChem (CID 133421952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).