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

C15H18N2O2 — CID 55032605

IUPAC[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCc1cccc(Oc2cnc(C(C)C)nc2CO)c1
InChIInChI=1S/C15H18N2O2/c1-10(2)15-16-8-14(13(9-18)17-15)19-12-6-4-5-11(3)7-12/h4-8,10,18H,9H2,1-3H3
InChIKeyIWCVJFWQDVSZCM-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.19
Rot. Bonds4

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

[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 55032605) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID55032605
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCc1cccc(Oc2cnc(C(C)C)nc2CO)c1
InChIInChI=1S/C15H18N2O2/c1-10(2)15-16-8-14(13(9-18)17-15)19-12-6-4-5-11(3)7-12/h4-8,10,18H,9H2,1-3H3
InChIKeyIWCVJFWQDVSZCM-UHFFFAOYSA-N
XLogP3.19
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297328
[5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086715
[4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol
CID 62088149
[5-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087969
[5-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62089045
[5-(4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086538
[5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087795
[2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62296045
4-(chloromethyl)-5-[3-(methoxymethyl)phenoxy]-2-propan-2-ylpyrimidine
CID 63986857
[5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63648556
[2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol
CID 116802655
[4-(3-methylphenoxy)quinolin-2-yl]methanol
CID 63376019

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol (CID 55032605) is [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol is Cc1cccc(Oc2cnc(C(C)C)nc2CO)c1.
What is the InChIKey of [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is IWCVJFWQDVSZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)15-16-8-14(13(9-18)17-15)19-12-6-4-5-11(3)7-12/h4-8,10,18H,9H2,1-3H3.
What are the key properties of [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 258.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 55032605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).