[2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol

C13H22N2O2 — CID 114205111

IUPAC[2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol
SMILESCOC(c1ncc(CO)c(C(C)C)n1)C(C)C
InChIInChI=1S/C13H22N2O2/c1-8(2)11-10(7-16)6-14-13(15-11)12(17-5)9(3)4/h6,8-9,12,16H,7H2,1-5H3
InChIKeyAJBNWECWPDCCBZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.44
Rot. Bonds5

About [2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol

[2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol (PubChem CID 114205111) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol
PubChem CID114205111
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol
SMILESCOC(c1ncc(CO)c(C(C)C)n1)C(C)C
InChIInChI=1S/C13H22N2O2/c1-8(2)11-10(7-16)6-14-13(15-11)12(17-5)9(3)4/h6,8-9,12,16H,7H2,1-5H3
InChIKeyAJBNWECWPDCCBZ-UHFFFAOYSA-N
XLogP2.44
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)methanol
CID 126974115
N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine
CID 116731243
[2,4-di(propan-2-yl)pyrimidin-5-yl]methanamine
CID 82505175
ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate
CID 102972388
1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731306
(4-propan-2-ylpyrimidin-5-yl)methanol
CID 130163917
[4-ethyl-2-(1-methoxy-2,2-dimethylpropyl)pyrimidin-5-yl]methanol
CID 114205053
ethyl 2-(1-methoxy-2-methylpropyl)-4-propylpyrimidine-5-carboxylate
CID 102972651
[2-[cyclopropyl(ethoxy)methyl]-4-(difluoromethyl)pyrimidin-5-yl]methanol
CID 114205177
N-[[4-(difluoromethyl)-2-(1-methoxypropyl)pyrimidin-5-yl]methyl]ethanamine
CID 114206962
[2-[cyclopropyl(methoxy)methyl]-4-propylpyrimidin-5-yl]methanol
CID 114205020
N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731735

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol?
The IUPAC name of [2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol (CID 114205111) is [2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol is COC(c1ncc(CO)c(C(C)C)n1)C(C)C.
What is the InChIKey of [2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol?
The InChIKey is AJBNWECWPDCCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(2)11-10(7-16)6-14-13(15-11)12(17-5)9(3)4/h6,8-9,12,16H,7H2,1-5H3.
What are the key properties of [2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol?
[2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol has a molecular weight of 238.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol is sourced from PubChem (CID 114205111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).