2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol

C14H23N3O3 — CID 106102448

IUPAC2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
SMILESCCCOc1cc(C)nc(NCC2(O)CCOC2C)n1
InChIInChI=1S/C14H23N3O3/c1-4-6-20-12-8-10(2)16-13(17-12)15-9-14(18)5-7-19-11(14)3/h8,11,18H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyXTZPCSPDLDWSFL-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.53
Rot. Bonds6

About 2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol

2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol (PubChem CID 106102448) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
PubChem CID106102448
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
SMILESCCCOc1cc(C)nc(NCC2(O)CCOC2C)n1
InChIInChI=1S/C14H23N3O3/c1-4-6-20-12-8-10(2)16-13(17-12)15-9-14(18)5-7-19-11(14)3/h8,11,18H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyXTZPCSPDLDWSFL-UHFFFAOYSA-N
XLogP1.53
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-3-[[(4-methyl-6-propoxypyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol (CID 106102448) is 2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol is CCCOc1cc(C)nc(NCC2(O)CCOC2C)n1.
What is the InChIKey of 2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol?
The InChIKey is XTZPCSPDLDWSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-6-20-12-8-10(2)16-13(17-12)15-9-14(18)5-7-19-11(14)3/h8,11,18H,4-7,9H2,1-3H3,(H,15,16,17).
What are the key properties of 2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol?
2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol has a molecular weight of 281.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(4-methyl-6-propoxypyrimidin-2-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106102448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).