2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol

C16H17ClN2O2 — CID 107712328

IUPAC2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol
SMILESCc1c(Cl)nc(C2CC2)nc1Oc1ccccc1CCO
InChIInChI=1S/C16H17ClN2O2/c1-10-14(17)18-15(12-6-7-12)19-16(10)21-13-5-3-2-4-11(13)8-9-20/h2-5,12,20H,6-9H2,1H3
InChIKeyOSLCJGVHAHVGGS-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.64
Rot. Bonds5

About 2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol

2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol (PubChem CID 107712328) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol
PubChem CID107712328
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol
SMILESCc1c(Cl)nc(C2CC2)nc1Oc1ccccc1CCO
InChIInChI=1S/C16H17ClN2O2/c1-10-14(17)18-15(12-6-7-12)19-16(10)21-13-5-3-2-4-11(13)8-9-20/h2-5,12,20H,6-9H2,1H3
InChIKeyOSLCJGVHAHVGGS-UHFFFAOYSA-N
XLogP3.64
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine
CID 80973921
[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol
CID 80948079
4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine
CID 80974375
4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine
CID 80973423
4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 80974321
[2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)oxyphenyl]methanol
CID 80973268
4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 80974330
2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 106196538
4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile
CID 80974217
4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine
CID 80973259
2-[2-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]oxyphenyl]ethanol
CID 107712360
4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 82824304

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol?
The IUPAC name of 2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol (CID 107712328) is 2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol.
What is the SMILES notation for 2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol?
The canonical SMILES for 2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol is Cc1c(Cl)nc(C2CC2)nc1Oc1ccccc1CCO.
What is the InChIKey of 2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol?
The InChIKey is OSLCJGVHAHVGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-14(17)18-15(12-6-7-12)19-16(10)21-13-5-3-2-4-11(13)8-9-20/h2-5,12,20H,6-9H2,1H3.
What are the key properties of 2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol?
2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol has a molecular weight of 304.78 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol is sourced from PubChem (CID 107712328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).