(2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol

C7H10N2OS — CID 106933386

IUPAC(2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol
SMILESC[C@@H](O)CSc1ccncn1
InChIInChI=1S/C7H10N2OS/c1-6(10)4-11-7-2-3-8-5-9-7/h2-3,5-6,10H,4H2,1H3/t6-/m1/s1
InChIKeyBFUCWHLTKIMASO-ZCFIWIBFSA-N
MW170.24 g/mol
LogP0.95
Rot. Bonds3

About (2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol

(2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol (PubChem CID 106933386) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is (2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol
PubChem CID106933386
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name(2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol
SMILESC[C@@H](O)CSc1ccncn1
InChIInChI=1S/C7H10N2OS/c1-6(10)4-11-7-2-3-8-5-9-7/h2-3,5-6,10H,4H2,1H3/t6-/m1/s1
InChIKeyBFUCWHLTKIMASO-ZCFIWIBFSA-N
XLogP0.95
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol?
The IUPAC name of (2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol (CID 106933386) is (2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol.
What is the SMILES notation for (2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol?
The canonical SMILES for (2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol is C[C@@H](O)CSc1ccncn1.
What is the InChIKey of (2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol?
The InChIKey is BFUCWHLTKIMASO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-6(10)4-11-7-2-3-8-5-9-7/h2-3,5-6,10H,4H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol?
(2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol has a molecular weight of 170.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol is sourced from PubChem (CID 106933386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).