[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol

C14H13ClN2O2 — CID 80948079

IUPAC[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol
SMILESOCc1ccccc1Oc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C14H13ClN2O2/c15-12-7-13(17-14(16-12)9-5-6-9)19-11-4-2-1-3-10(11)8-18/h1-4,7,9,18H,5-6,8H2
InChIKeyVNNOVBVCUZZKOB-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.29
Rot. Bonds4

About [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol

[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol (PubChem CID 80948079) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol
PubChem CID80948079
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol
SMILESOCc1ccccc1Oc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C14H13ClN2O2/c15-12-7-13(17-14(16-12)9-5-6-9)19-11-4-2-1-3-10(11)8-18/h1-4,7,9,18H,5-6,8H2
InChIKeyVNNOVBVCUZZKOB-UHFFFAOYSA-N
XLogP3.29
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol?
The IUPAC name of [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol (CID 80948079) is [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol?
The canonical SMILES for [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol is OCc1ccccc1Oc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol?
The InChIKey is VNNOVBVCUZZKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12-7-13(17-14(16-12)9-5-6-9)19-11-4-2-1-3-10(11)8-18/h1-4,7,9,18H,5-6,8H2.
What are the key properties of [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol?
[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol has a molecular weight of 276.72 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 80948079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).