3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol

C11H18N4O3 — CID 106099400

IUPAC3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol
SMILESCCOc1ncnc(NCC2(O)CCOC2)c1N
InChIInChI=1S/C11H18N4O3/c1-2-18-10-8(12)9(14-7-15-10)13-5-11(16)3-4-17-6-11/h7,16H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyALVRZIWQDAKFDW-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.02
Rot. Bonds5

About 3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol

3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol (PubChem CID 106099400) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol
PubChem CID106099400
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol
SMILESCCOc1ncnc(NCC2(O)CCOC2)c1N
InChIInChI=1S/C11H18N4O3/c1-2-18-10-8(12)9(14-7-15-10)13-5-11(16)3-4-17-6-11/h7,16H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyALVRZIWQDAKFDW-UHFFFAOYSA-N
XLogP0.02
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[(5-amino-6-ethoxypyrimidin-4-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

3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103334
6-ethoxy-4-N-ethylpyrimidine-4,5-diamine
CID 19135293
3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 106099483
3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 106099466
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
CID 104762708
3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 102975946
1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 66327090
3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 114143806
4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine
CID 103460119
6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine
CID 104759022
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143772

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol (CID 106099400) is 3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol is CCOc1ncnc(NCC2(O)CCOC2)c1N.
What is the InChIKey of 3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The InChIKey is ALVRZIWQDAKFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-2-18-10-8(12)9(14-7-15-10)13-5-11(16)3-4-17-6-11/h7,16H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of 3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol?
3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol has a molecular weight of 254.29 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106099400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).