[4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol

C15H18N2O3 — CID 62088149

IUPAC[4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol
SMILESCC(C)c1ncc(Oc2ccc(CO)cc2)c(CO)n1
InChIInChI=1S/C15H18N2O3/c1-10(2)15-16-7-14(13(9-19)17-15)20-12-5-3-11(8-18)4-6-12/h3-7,10,18-19H,8-9H2,1-2H3
InChIKeyBDVZNVNSUYJRHI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.38
Rot. Bonds5

About [4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol

[4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol (PubChem CID 62088149) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is [4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol
PubChem CID62088149
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name[4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol
SMILESCC(C)c1ncc(Oc2ccc(CO)cc2)c(CO)n1
InChIInChI=1S/C15H18N2O3/c1-10(2)15-16-7-14(13(9-19)17-15)20-12-5-3-11(8-18)4-6-12/h3-7,10,18-19H,8-9H2,1-2H3
InChIKeyBDVZNVNSUYJRHI-UHFFFAOYSA-N
XLogP2.38
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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-(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-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086715
[5-(4-chloro-3-ethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087795
[2-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]methanol
CID 116802655
[5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63648556
[5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 63648235
1-[5-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297314
(5-hexoxy-2-propan-2-ylpyrimidin-4-yl)methanol
CID 62087433
[2-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]methanol
CID 55032702

Frequently Asked Questions

What is the IUPAC name of [4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol?
The IUPAC name of [4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol (CID 62088149) is [4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol.
What is the SMILES notation for [4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol?
The canonical SMILES for [4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol is CC(C)c1ncc(Oc2ccc(CO)cc2)c(CO)n1.
What is the InChIKey of [4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol?
The InChIKey is BDVZNVNSUYJRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(2)15-16-7-14(13(9-19)17-15)20-12-5-3-11(8-18)4-6-12/h3-7,10,18-19H,8-9H2,1-2H3.
What are the key properties of [4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol?
[4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol has a molecular weight of 274.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol is sourced from PubChem (CID 62088149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).