3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol

C13H22N4O3 — CID 106103334

IUPAC3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
SMILESCCCNc1ncnc(NCC2(O)CCOC2)c1OC
InChIInChI=1S/C13H22N4O3/c1-3-5-14-11-10(19-2)12(17-9-16-11)15-7-13(18)4-6-20-8-13/h9,18H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyXYLRXGMZCLLGQV-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.87
Rot. Bonds7

About 3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol

3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol (PubChem CID 106103334) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
PubChem CID106103334
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
SMILESCCCNc1ncnc(NCC2(O)CCOC2)c1OC
InChIInChI=1S/C13H22N4O3/c1-3-5-14-11-10(19-2)12(17-9-16-11)15-7-13(18)4-6-20-8-13/h9,18H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyXYLRXGMZCLLGQV-UHFFFAOYSA-N
XLogP0.87
TPSA88.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106099400
4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 104767340
3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 102975946
3-[[(8-methoxyquinazolin-4-yl)amino]methyl]oxetan-3-ol
CID 167874305
1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
CID 103358871
3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 114143806
5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 113464276
4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 78929377
5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine
CID 113467587
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143772
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146882

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol (CID 106103334) is 3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol is CCCNc1ncnc(NCC2(O)CCOC2)c1OC.
What is the InChIKey of 3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The InChIKey is XYLRXGMZCLLGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-5-14-11-10(19-2)12(17-9-16-11)15-7-13(18)4-6-20-8-13/h9,18H,3-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol?
3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol has a molecular weight of 282.34 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106103334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).