3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol

C13H22N4O2 — CID 106103244

IUPAC3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
SMILESCCc1nc(NC)c(C)c(NCC2(O)CCOC2)n1
InChIInChI=1S/C13H22N4O2/c1-4-10-16-11(14-3)9(2)12(17-10)15-7-13(18)5-6-19-8-13/h18H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyGTQULQVOWJCNHC-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.95
Rot. Bonds5

About 3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol

3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol (PubChem CID 106103244) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
PubChem CID106103244
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
SMILESCCc1nc(NC)c(C)c(NCC2(O)CCOC2)n1
InChIInChI=1S/C13H22N4O2/c1-4-10-16-11(14-3)9(2)12(17-10)15-7-13(18)5-6-19-8-13/h18H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyGTQULQVOWJCNHC-UHFFFAOYSA-N
XLogP0.95
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

[1-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 115366345
4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132271
3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106102696
4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81130653
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol
CID 104925043
1-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80977973
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
1-[[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80992171
6-[(3-hydroxyoxolan-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103847756
3-[[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103295
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143772

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol (CID 106103244) is 3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol is CCc1nc(NC)c(C)c(NCC2(O)CCOC2)n1.
What is the InChIKey of 3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The InChIKey is GTQULQVOWJCNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-10-16-11(14-3)9(2)12(17-10)15-7-13(18)5-6-19-8-13/h18H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol?
3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol has a molecular weight of 266.34 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106103244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).