3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol

C11H17FN4O2 — CID 114143772

IUPAC3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol
SMILESCCNc1ncc(F)c(NCC2(O)CCOC2)n1
InChIInChI=1S/C11H17FN4O2/c1-2-13-10-14-5-8(12)9(16-10)15-6-11(17)3-4-18-7-11/h5,17H,2-4,6-7H2,1H3,(H2,13,14,15,16)
InChIKeyAKJGEUDXFKMEJB-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.61
Rot. Bonds5

About 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol

3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol (PubChem CID 114143772) has the molecular formula C11H17FN4O2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol
PubChem CID114143772
Molecular FormulaC11H17FN4O2
Molecular Weight256.28 g/mol
Exact Mass256.13
IUPAC Name3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol
SMILESCCNc1ncc(F)c(NCC2(O)CCOC2)n1
InChIInChI=1S/C11H17FN4O2/c1-2-13-10-14-5-8(12)9(16-10)15-6-11(17)3-4-18-7-11/h5,17H,2-4,6-7H2,1H3,(H2,13,14,15,16)
InChIKeyAKJGEUDXFKMEJB-UHFFFAOYSA-N
XLogP0.61
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842338
1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol
CID 80842915
4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81131918
3-[[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103295
3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol
CID 106103384
4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80843418
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80842921
3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106102670
4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 172899263
1-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80826151
5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80846627

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol (CID 114143772) is 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol is CCNc1ncc(F)c(NCC2(O)CCOC2)n1.
What is the InChIKey of 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol?
The InChIKey is AKJGEUDXFKMEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O2/c1-2-13-10-14-5-8(12)9(16-10)15-6-11(17)3-4-18-7-11/h5,17H,2-4,6-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol?
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol has a molecular weight of 256.28 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 114143772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).