6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one

C10H14FN3O5 — CID 18391556

IUPAC6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(N[C@H]2C[C@@H](O)[C@@H](O)[C@@H](CO)O2)[nH]1
InChIInChI=1S/C10H14FN3O5/c11-4-2-12-10(18)14-9(4)13-7-1-5(16)8(17)6(3-15)19-7/h2,5-8,15-17H,1,3H2,(H2,12,13,14,18)/t5-,6-,7-,8-/m1/s1
InChIKeyDVMDDBPQRMEZFA-WCTZXXKLSA-N
MW275.24 g/mol
LogP-1.85
Rot. Bonds3

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

6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one (PubChem CID 18391556) has the molecular formula C10H14FN3O5 and a molecular weight of 275.24 g/mol. Its IUPAC name is 6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one
PubChem CID18391556
Molecular FormulaC10H14FN3O5
Molecular Weight275.24 g/mol
Exact Mass275.09
IUPAC Name6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(N[C@H]2C[C@@H](O)[C@@H](O)[C@@H](CO)O2)[nH]1
InChIInChI=1S/C10H14FN3O5/c11-4-2-12-10(18)14-9(4)13-7-1-5(16)8(17)6(3-15)19-7/h2,5-8,15-17H,1,3H2,(H2,12,13,14,18)/t5-,6-,7-,8-/m1/s1
InChIKeyDVMDDBPQRMEZFA-WCTZXXKLSA-N
XLogP-1.85
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 ≤ 5-1.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one (CID 18391556) is 6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one is O=c1ncc(F)c(N[C@H]2C[C@@H](O)[C@@H](O)[C@@H](CO)O2)[nH]1.
What is the InChIKey of 6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one?
The InChIKey is DVMDDBPQRMEZFA-WCTZXXKLSA-N. The full InChI is InChI=1S/C10H14FN3O5/c11-4-2-12-10(18)14-9(4)13-7-1-5(16)8(17)6(3-15)19-7/h2,5-8,15-17H,1,3H2,(H2,12,13,14,18)/t5-,6-,7-,8-/m1/s1.
What are the key properties of 6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one?
6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one has a molecular weight of 275.24 g/mol, XLogP of -1.85, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 18391556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).