[4-(2-propan-2-ylphenoxy)pyrimidin-5-yl]methanol

C14H16N2O2 — CID 114215255

IUPAC[4-(2-propan-2-ylphenoxy)pyrimidin-5-yl]methanol
SMILESCC(C)c1ccccc1Oc1ncncc1CO
InChIInChI=1S/C14H16N2O2/c1-10(2)12-5-3-4-6-13(12)18-14-11(8-17)7-15-9-16-14/h3-7,9-10,17H,8H2,1-2H3
InChIKeyXTWNAWBJHZIQRE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.88
Rot. Bonds4

About [4-(2-propan-2-ylphenoxy)pyrimidin-5-yl]methanol

[4-(2-propan-2-ylphenoxy)pyrimidin-5-yl]methanol (PubChem CID 114215255) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is [4-(2-propan-2-ylphenoxy)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(2-propan-2-ylphenoxy)pyrimidin-5-yl]methanol
PubChem CID114215255
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name[4-(2-propan-2-ylphenoxy)pyrimidin-5-yl]methanol
SMILESCC(C)c1ccccc1Oc1ncncc1CO
InChIInChI=1S/C14H16N2O2/c1-10(2)12-5-3-4-6-13(12)18-14-11(8-17)7-15-9-16-14/h3-7,9-10,17H,8H2,1-2H3
InChIKeyXTWNAWBJHZIQRE-UHFFFAOYSA-N
XLogP2.88
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-propan-2-ylphenoxy)pyrimidin-5-yl]methanol?
The IUPAC name of [4-(2-propan-2-ylphenoxy)pyrimidin-5-yl]methanol (CID 114215255) is [4-(2-propan-2-ylphenoxy)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(2-propan-2-ylphenoxy)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(2-propan-2-ylphenoxy)pyrimidin-5-yl]methanol is CC(C)c1ccccc1Oc1ncncc1CO.
What is the InChIKey of [4-(2-propan-2-ylphenoxy)pyrimidin-5-yl]methanol?
The InChIKey is XTWNAWBJHZIQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(2)12-5-3-4-6-13(12)18-14-11(8-17)7-15-9-16-14/h3-7,9-10,17H,8H2,1-2H3.
What are the key properties of [4-(2-propan-2-ylphenoxy)pyrimidin-5-yl]methanol?
[4-(2-propan-2-ylphenoxy)pyrimidin-5-yl]methanol has a molecular weight of 244.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-propan-2-ylphenoxy)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114215255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).