4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol

C10H15FN4O2 — CID 81131918

IUPAC4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
SMILESNc1ncc(F)c(NCC2(O)CCOCC2)n1
InChIInChI=1S/C10H15FN4O2/c11-7-5-13-9(12)15-8(7)14-6-10(16)1-3-17-4-2-10/h5,16H,1-4,6H2,(H3,12,13,14,15)
InChIKeyOXEMGSKUBYBLFO-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.15
Rot. Bonds3

About 4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol

4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol (PubChem CID 81131918) has the molecular formula C10H15FN4O2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
PubChem CID81131918
Molecular FormulaC10H15FN4O2
Molecular Weight242.25 g/mol
Exact Mass242.12
IUPAC Name4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
SMILESNc1ncc(F)c(NCC2(O)CCOCC2)n1
InChIInChI=1S/C10H15FN4O2/c11-7-5-13-9(12)15-8(7)14-6-10(16)1-3-17-4-2-10/h5,16H,1-4,6H2,(H3,12,13,14,15)
InChIKeyOXEMGSKUBYBLFO-UHFFFAOYSA-N
XLogP0.15
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol (CID 81131918) is 4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol is Nc1ncc(F)c(NCC2(O)CCOCC2)n1.
What is the InChIKey of 4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol?
The InChIKey is OXEMGSKUBYBLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O2/c11-7-5-13-9(12)15-8(7)14-6-10(16)1-3-17-4-2-10/h5,16H,1-4,6H2,(H3,12,13,14,15).
What are the key properties of 4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol?
4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol has a molecular weight of 242.25 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81131918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).