2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol

C13H21N3O3 — CID 106102253

IUPAC2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
SMILESCC(C)Oc1ccnc(NCC2(O)CCOC2C)n1
InChIInChI=1S/C13H21N3O3/c1-9(2)19-11-4-6-14-12(16-11)15-8-13(17)5-7-18-10(13)3/h4,6,9-10,17H,5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyLKWSYTWIYRMPPS-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.22
Rot. Bonds5

About 2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol

2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol (PubChem CID 106102253) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
PubChem CID106102253
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
SMILESCC(C)Oc1ccnc(NCC2(O)CCOC2C)n1
InChIInChI=1S/C13H21N3O3/c1-9(2)19-11-4-6-14-12(16-11)15-8-13(17)5-7-18-10(13)3/h4,6,9-10,17H,5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyLKWSYTWIYRMPPS-UHFFFAOYSA-N
XLogP1.22
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 104762705
[3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol
CID 115974965
3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107269638
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975246
3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103235
2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102448
N-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638297
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638038
N-(2-methyloxolan-3-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638391
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol
CID 106103524
(1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol
CID 167870410

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol (CID 106102253) is 2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol is CC(C)Oc1ccnc(NCC2(O)CCOC2C)n1.
What is the InChIKey of 2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol?
The InChIKey is LKWSYTWIYRMPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)19-11-4-6-14-12(16-11)15-8-13(17)5-7-18-10(13)3/h4,6,9-10,17H,5,7-8H2,1-3H3,(H,14,15,16).
What are the key properties of 2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol?
2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol has a molecular weight of 267.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106102253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).