[2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol

C13H23N3O — CID 83184985

IUPAC[2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol
SMILESCCC(C)CN(CC)c1ncc(CO)c(C)n1
InChIInChI=1S/C13H23N3O/c1-5-10(3)8-16(6-2)13-14-7-12(9-17)11(4)15-13/h7,10,17H,5-6,8-9H2,1-4H3
InChIKeyDGWKUCUZSYQAMJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.15
Rot. Bonds6

About [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol

[2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol (PubChem CID 83184985) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol
PubChem CID83184985
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol
SMILESCCC(C)CN(CC)c1ncc(CO)c(C)n1
InChIInChI=1S/C13H23N3O/c1-5-10(3)8-16(6-2)13-14-7-12(9-17)11(4)15-13/h7,10,17H,5-6,8-9H2,1-4H3
InChIKeyDGWKUCUZSYQAMJ-UHFFFAOYSA-N
XLogP2.15
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol (CID 83184985) is [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol is CCC(C)CN(CC)c1ncc(CO)c(C)n1.
What is the InChIKey of [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol?
The InChIKey is DGWKUCUZSYQAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-10(3)8-16(6-2)13-14-7-12(9-17)11(4)15-13/h7,10,17H,5-6,8-9H2,1-4H3.
What are the key properties of [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol?
[2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol has a molecular weight of 237.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2-methylbutyl)amino]-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 83184985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).