[4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol

C12H21N3O2 — CID 114215326

IUPAC[4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol
SMILESCc1ncc(CO)c(OCC(C)(C)N(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-9-13-6-10(7-16)11(14-9)17-8-12(2,3)15(4)5/h6,16H,7-8H2,1-5H3
InChIKeyINQDCZKMAOREOK-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.00
Rot. Bonds5

About [4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol

[4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol (PubChem CID 114215326) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol
PubChem CID114215326
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol
SMILESCc1ncc(CO)c(OCC(C)(C)N(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-9-13-6-10(7-16)11(14-9)17-8-12(2,3)15(4)5/h6,16H,7-8H2,1-5H3
InChIKeyINQDCZKMAOREOK-UHFFFAOYSA-N
XLogP1.00
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol?
The IUPAC name of [4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol (CID 114215326) is [4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol is Cc1ncc(CO)c(OCC(C)(C)N(C)C)n1.
What is the InChIKey of [4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol?
The InChIKey is INQDCZKMAOREOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9-13-6-10(7-16)11(14-9)17-8-12(2,3)15(4)5/h6,16H,7-8H2,1-5H3.
What are the key properties of [4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol?
[4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol has a molecular weight of 239.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 114215326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).