2-(5-methoxypyrimidin-2-yl)propan-2-ol

C8H12N2O2 — CID 118346554

IUPAC2-(5-methoxypyrimidin-2-yl)propan-2-ol
SMILESCOc1cnc(C(C)(C)O)nc1
InChIInChI=1S/C8H12N2O2/c1-8(2,11)7-9-4-6(12-3)5-10-7/h4-5,11H,1-3H3
InChIKeyHWVGFRQGTMNOMO-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.71
Rot. Bonds2

About 2-(5-methoxypyrimidin-2-yl)propan-2-ol

2-(5-methoxypyrimidin-2-yl)propan-2-ol (PubChem CID 118346554) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(5-methoxypyrimidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-methoxypyrimidin-2-yl)propan-2-ol
PubChem CID118346554
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(5-methoxypyrimidin-2-yl)propan-2-ol
SMILESCOc1cnc(C(C)(C)O)nc1
InChIInChI=1S/C8H12N2O2/c1-8(2,11)7-9-4-6(12-3)5-10-7/h4-5,11H,1-3H3
InChIKeyHWVGFRQGTMNOMO-UHFFFAOYSA-N
XLogP0.71
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxypyrimidin-2-yl)propan-2-ol?
The IUPAC name of 2-(5-methoxypyrimidin-2-yl)propan-2-ol (CID 118346554) is 2-(5-methoxypyrimidin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5-methoxypyrimidin-2-yl)propan-2-ol?
The canonical SMILES for 2-(5-methoxypyrimidin-2-yl)propan-2-ol is COc1cnc(C(C)(C)O)nc1.
What is the InChIKey of 2-(5-methoxypyrimidin-2-yl)propan-2-ol?
The InChIKey is HWVGFRQGTMNOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2,11)7-9-4-6(12-3)5-10-7/h4-5,11H,1-3H3.
What are the key properties of 2-(5-methoxypyrimidin-2-yl)propan-2-ol?
2-(5-methoxypyrimidin-2-yl)propan-2-ol has a molecular weight of 168.20 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxypyrimidin-2-yl)propan-2-ol is sourced from PubChem (CID 118346554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).