(2-propan-2-yloxypyrimidin-5-yl)methanol

C8H12N2O2 — CID 130550961

IUPAC(2-propan-2-yloxypyrimidin-5-yl)methanol
SMILESCC(C)Oc1ncc(CO)cn1
InChIInChI=1S/C8H12N2O2/c1-6(2)12-8-9-3-7(5-11)4-10-8/h3-4,6,11H,5H2,1-2H3
InChIKeyBZWQMTWQUBEFSD-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.76
Rot. Bonds3

About (2-propan-2-yloxypyrimidin-5-yl)methanol

(2-propan-2-yloxypyrimidin-5-yl)methanol (PubChem CID 130550961) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2-propan-2-yloxypyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(2-propan-2-yloxypyrimidin-5-yl)methanol
PubChem CID130550961
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2-propan-2-yloxypyrimidin-5-yl)methanol
SMILESCC(C)Oc1ncc(CO)cn1
InChIInChI=1S/C8H12N2O2/c1-6(2)12-8-9-3-7(5-11)4-10-8/h3-4,6,11H,5H2,1-2H3
InChIKeyBZWQMTWQUBEFSD-UHFFFAOYSA-N
XLogP0.76
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-propan-2-yloxypyrimidin-5-yl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yloxypyrimidin-5-yl)methanol?
The IUPAC name of (2-propan-2-yloxypyrimidin-5-yl)methanol (CID 130550961) is (2-propan-2-yloxypyrimidin-5-yl)methanol.
What is the SMILES notation for (2-propan-2-yloxypyrimidin-5-yl)methanol?
The canonical SMILES for (2-propan-2-yloxypyrimidin-5-yl)methanol is CC(C)Oc1ncc(CO)cn1.
What is the InChIKey of (2-propan-2-yloxypyrimidin-5-yl)methanol?
The InChIKey is BZWQMTWQUBEFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(2)12-8-9-3-7(5-11)4-10-8/h3-4,6,11H,5H2,1-2H3.
What are the key properties of (2-propan-2-yloxypyrimidin-5-yl)methanol?
(2-propan-2-yloxypyrimidin-5-yl)methanol has a molecular weight of 168.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yloxypyrimidin-5-yl)methanol is sourced from PubChem (CID 130550961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).