[4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol

C13H22N2O2 — CID 114205053

IUPAC[4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol
SMILESCCc1nc(C(OC)C(C)(C)C)ncc1CO
InChIInChI=1S/C13H22N2O2/c1-6-10-9(8-16)7-14-12(15-10)11(17-5)13(2,3)4/h7,11,16H,6,8H2,1-5H3
InChIKeyLWKZBTHUHAUBKB-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.26
Rot. Bonds4

About [4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol

[4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol (PubChem CID 114205053) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol
PubChem CID114205053
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol
SMILESCCc1nc(C(OC)C(C)(C)C)ncc1CO
InChIInChI=1S/C13H22N2O2/c1-6-10-9(8-16)7-14-12(15-10)11(17-5)13(2,3)4/h7,11,16H,6,8H2,1-5H3
InChIKeyLWKZBTHUHAUBKB-UHFFFAOYSA-N
XLogP2.26
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol (CID 114205053) is [4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol is CCc1nc(C(OC)C(C)(C)C)ncc1CO.
What is the InChIKey of [4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol?
The InChIKey is LWKZBTHUHAUBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-6-10-9(8-16)7-14-12(15-10)11(17-5)13(2,3)4/h7,11,16H,6,8H2,1-5H3.
What are the key properties of [4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol?
[4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol has a molecular weight of 238.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114205053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).