[4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol

C11H11FN4OS — CID 55237968

IUPAC[4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol
SMILESNc1cc(N)nc(Sc2ccc(CO)cc2F)n1
InChIInChI=1S/C11H11FN4OS/c12-7-3-6(5-17)1-2-8(7)18-11-15-9(13)4-10(14)16-11/h1-4,17H,5H2,(H4,13,14,15,16)
InChIKeyXNRPRSJVGJOOOZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.42
Rot. Bonds3

About [4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol

[4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol (PubChem CID 55237968) has the molecular formula C11H11FN4OS and a molecular weight of 266.30 g/mol. Its IUPAC name is [4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol
PubChem CID55237968
Molecular FormulaC11H11FN4OS
Molecular Weight266.30 g/mol
Exact Mass266.06
IUPAC Name[4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol
SMILESNc1cc(N)nc(Sc2ccc(CO)cc2F)n1
InChIInChI=1S/C11H11FN4OS/c12-7-3-6(5-17)1-2-8(7)18-11-15-9(13)4-10(14)16-11/h1-4,17H,5H2,(H4,13,14,15,16)
InChIKeyXNRPRSJVGJOOOZ-UHFFFAOYSA-N
XLogP1.42
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol?
The IUPAC name of [4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol (CID 55237968) is [4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol?
The canonical SMILES for [4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol is Nc1cc(N)nc(Sc2ccc(CO)cc2F)n1.
What is the InChIKey of [4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol?
The InChIKey is XNRPRSJVGJOOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4OS/c12-7-3-6(5-17)1-2-8(7)18-11-15-9(13)4-10(14)16-11/h1-4,17H,5H2,(H4,13,14,15,16).
What are the key properties of [4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol?
[4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol has a molecular weight of 266.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol is sourced from PubChem (CID 55237968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).