[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol

C9H14N2O2 — CID 79198542

IUPAC[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol
SMILESCOC(C)(C)c1nccc(CO)n1
InChIInChI=1S/C9H14N2O2/c1-9(2,13-3)8-10-5-4-7(6-12)11-8/h4-5,12H,6H2,1-3H3
InChIKeyHHSRLGQRMKBEKQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.85
Rot. Bonds3

About [2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol

[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol (PubChem CID 79198542) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is [2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol
PubChem CID79198542
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol
SMILESCOC(C)(C)c1nccc(CO)n1
InChIInChI=1S/C9H14N2O2/c1-9(2,13-3)8-10-5-4-7(6-12)11-8/h4-5,12H,6H2,1-3H3
InChIKeyHHSRLGQRMKBEKQ-UHFFFAOYSA-N
XLogP0.85
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol?
The IUPAC name of [2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol (CID 79198542) is [2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol is COC(C)(C)c1nccc(CO)n1.
What is the InChIKey of [2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol?
The InChIKey is HHSRLGQRMKBEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,13-3)8-10-5-4-7(6-12)11-8/h4-5,12H,6H2,1-3H3.
What are the key properties of [2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol?
[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol has a molecular weight of 182.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 79198542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).