6-[[(3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one

C10H14FN3O5 — CID 54295170

IUPAC6-[[(3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one
SMILESCC(O)[C@H]1OC(Nc2ccnc(=O)[nH]2)[C@](O)(F)[C@@H]1O
InChIInChI=1S/C10H14FN3O5/c1-4(15)6-7(16)10(11,18)8(19-6)13-5-2-3-12-9(17)14-5/h2-4,6-8,15-16,18H,1H3,(H2,12,13,14,17)/t4?,6-,7-,8?,10+/m1/s1
InChIKeySAHIJEYUSDHHGL-LUTZJDGGSA-N
MW275.24 g/mol
LogP-1.69
Rot. Bonds3

About 6-[[(3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one

6-[[(3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one (PubChem CID 54295170) has the molecular formula C10H14FN3O5 and a molecular weight of 275.24 g/mol. Its IUPAC name is 6-[[(3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[[(3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one
PubChem CID54295170
Molecular FormulaC10H14FN3O5
Molecular Weight275.24 g/mol
Exact Mass275.09
IUPAC Name6-[[(3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one
SMILESCC(O)[C@H]1OC(Nc2ccnc(=O)[nH]2)[C@](O)(F)[C@@H]1O
InChIInChI=1S/C10H14FN3O5/c1-4(15)6-7(16)10(11,18)8(19-6)13-5-2-3-12-9(17)14-5/h2-4,6-8,15-16,18H,1H3,(H2,12,13,14,17)/t4?,6-,7-,8?,10+/m1/s1
InChIKeySAHIJEYUSDHHGL-LUTZJDGGSA-N
XLogP-1.69
TPSA127.70 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 5-1.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one?
The IUPAC name of 6-[[(3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one (CID 54295170) is 6-[[(3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[[(3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[[(3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one is CC(O)[C@H]1OC(Nc2ccnc(=O)[nH]2)[C@](O)(F)[C@@H]1O.
What is the InChIKey of 6-[[(3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one?
The InChIKey is SAHIJEYUSDHHGL-LUTZJDGGSA-N. The full InChI is InChI=1S/C10H14FN3O5/c1-4(15)6-7(16)10(11,18)8(19-6)13-5-2-3-12-9(17)14-5/h2-4,6-8,15-16,18H,1H3,(H2,12,13,14,17)/t4?,6-,7-,8?,10+/m1/s1.
What are the key properties of 6-[[(3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one?
6-[[(3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one has a molecular weight of 275.24 g/mol, XLogP of -1.69, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4R,5R)-3-fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one is sourced from PubChem (CID 54295170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).