[4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol

C13H21N3O2 — CID 72902233

IUPAC[4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol
SMILESCc1ccnc(N(C)CC2(CO)CCOCC2)n1
InChIInChI=1S/C13H21N3O2/c1-11-3-6-14-12(15-11)16(2)9-13(10-17)4-7-18-8-5-13/h3,6,17H,4-5,7-10H2,1-2H3
InChIKeyUYBHYXAYGYIEON-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.01
Rot. Bonds4

About [4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol

[4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol (PubChem CID 72902233) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol
PubChem CID72902233
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol
SMILESCc1ccnc(N(C)CC2(CO)CCOCC2)n1
InChIInChI=1S/C13H21N3O2/c1-11-3-6-14-12(15-11)16(2)9-13(10-17)4-7-18-8-5-13/h3,6,17H,4-5,7-10H2,1-2H3
InChIKeyUYBHYXAYGYIEON-UHFFFAOYSA-N
XLogP1.01
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-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 [4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol (CID 72902233) is [4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol is Cc1ccnc(N(C)CC2(CO)CCOCC2)n1.
What is the InChIKey of [4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol?
The InChIKey is UYBHYXAYGYIEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-11-3-6-14-12(15-11)16(2)9-13(10-17)4-7-18-8-5-13/h3,6,17H,4-5,7-10H2,1-2H3.
What are the key properties of [4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol?
[4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl-(4-methylpyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 72902233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).