(3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol

C8H10FN3O2 — CID 130751611

IUPAC(3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1Nc1cc(F)ncn1
InChIInChI=1S/C8H10FN3O2/c9-7-1-8(11-4-10-7)12-5-2-14-3-6(5)13/h1,4-6,13H,2-3H2,(H,10,11,12)/t5-,6-/m1/s1
InChIKeyJLFVKXJWTBWMFY-PHDIDXHHSA-N
MW199.18 g/mol
LogP-0.21
Rot. Bonds2

About (3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol

(3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol (PubChem CID 130751611) has the molecular formula C8H10FN3O2 and a molecular weight of 199.18 g/mol. Its IUPAC name is (3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol
PubChem CID130751611
Molecular FormulaC8H10FN3O2
Molecular Weight199.18 g/mol
Exact Mass199.08
IUPAC Name(3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1Nc1cc(F)ncn1
InChIInChI=1S/C8H10FN3O2/c9-7-1-8(11-4-10-7)12-5-2-14-3-6(5)13/h1,4-6,13H,2-3H2,(H,10,11,12)/t5-,6-/m1/s1
InChIKeyJLFVKXJWTBWMFY-PHDIDXHHSA-N
XLogP-0.21
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol with MolForge

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Related Compounds

4-[(6-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 104966807
4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-ol
CID 130991603
4-(3,5-difluoroanilino)oxolan-3-ol
CID 60902051
N-(2,2-dimethylcyclopropyl)-6-fluoropyrimidin-4-amine
CID 115416834
3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 115417135
4-(3-fluoroanilino)oxolan-3-ol
CID 60896820
(3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol
CID 130729685
N-(2,2-dimethylcyclopentyl)-6-fluoropyrimidin-4-amine
CID 115417181
4-(4-bromo-2-fluoroanilino)oxolan-3-ol
CID 60898846
N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine
CID 115417081
1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 115417098
(3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol
CID 128565486

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol (CID 130751611) is (3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol is O[C@@H]1COC[C@H]1Nc1cc(F)ncn1.
What is the InChIKey of (3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol?
The InChIKey is JLFVKXJWTBWMFY-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H10FN3O2/c9-7-1-8(11-4-10-7)12-5-2-14-3-6(5)13/h1,4-6,13H,2-3H2,(H,10,11,12)/t5-,6-/m1/s1.
What are the key properties of (3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol?
(3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol has a molecular weight of 199.18 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(6-fluoropyrimidin-4-yl)amino]oxolan-3-ol is sourced from PubChem (CID 130751611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).