[5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol

C14H15ClN2O2 — CID 62086715

IUPAC[5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(Oc2cccc(Cl)c2)c(CO)n1
InChIInChI=1S/C14H15ClN2O2/c1-9(2)14-16-7-13(12(8-18)17-14)19-11-5-3-4-10(15)6-11/h3-7,9,18H,8H2,1-2H3
InChIKeyQOMIFPXSWYTREX-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.54
Rot. Bonds4

About [5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol

[5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 62086715) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is [5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID62086715
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name[5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(Oc2cccc(Cl)c2)c(CO)n1
InChIInChI=1S/C14H15ClN2O2/c1-9(2)14-16-7-13(12(8-18)17-14)19-11-5-3-4-10(15)6-11/h3-7,9,18H,8H2,1-2H3
InChIKeyQOMIFPXSWYTREX-UHFFFAOYSA-N
XLogP3.54
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087969
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 55032605
[5-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62089045
[5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087795
[4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol
CID 62088149
[5-(4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086538
4-(chloromethyl)-5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidine
CID 62088348
4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine
CID 63986857
[2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62296045
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297328
[5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 64600452
[5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62088864

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol (CID 62086715) is [5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol is CC(C)c1ncc(Oc2cccc(Cl)c2)c(CO)n1.
What is the InChIKey of [5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is QOMIFPXSWYTREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9(2)14-16-7-13(12(8-18)17-14)19-11-5-3-4-10(15)6-11/h3-7,9,18H,8H2,1-2H3.
What are the key properties of [5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 278.74 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 62086715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).