(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-ol

C11H11FN4OS — CID 122701468

IUPAC(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-ol
SMILESC[C@@H](Sc1ncccn1)[C@H](O)c1ncc(F)cn1
InChIInChI=1S/C11H11FN4OS/c1-7(18-11-13-3-2-4-14-11)9(17)10-15-5-8(12)6-16-10/h2-7,9,17H,1H3/t7-,9+/m1/s1
InChIKeyXCRVPTUJPVKMRY-APPZFPTMSA-N
MW266.30 g/mol
LogP1.62
Rot. Bonds4

About (1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-ol

(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-ol (PubChem CID 122701468) has the molecular formula C11H11FN4OS and a molecular weight of 266.30 g/mol. Its IUPAC name is (1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-ol
PubChem CID122701468
Molecular FormulaC11H11FN4OS
Molecular Weight266.30 g/mol
Exact Mass266.06
IUPAC Name(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-ol
SMILESC[C@@H](Sc1ncccn1)[C@H](O)c1ncc(F)cn1
InChIInChI=1S/C11H11FN4OS/c1-7(18-11-13-3-2-4-14-11)9(17)10-15-5-8(12)6-16-10/h2-7,9,17H,1H3/t7-,9+/m1/s1
InChIKeyXCRVPTUJPVKMRY-APPZFPTMSA-N
XLogP1.62
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-ol?
The IUPAC name of (1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-ol (CID 122701468) is (1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-ol.
What is the SMILES notation for (1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-ol?
The canonical SMILES for (1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-ol is C[C@@H](Sc1ncccn1)[C@H](O)c1ncc(F)cn1.
What is the InChIKey of (1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-ol?
The InChIKey is XCRVPTUJPVKMRY-APPZFPTMSA-N. The full InChI is InChI=1S/C11H11FN4OS/c1-7(18-11-13-3-2-4-14-11)9(17)10-15-5-8(12)6-16-10/h2-7,9,17H,1H3/t7-,9+/m1/s1.
What are the key properties of (1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-ol?
(1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-ol has a molecular weight of 266.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-ol is sourced from PubChem (CID 122701468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).