3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol

C10H17FN4OS — CID 106163493

IUPAC3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
SMILESCNc1ncc(F)c(NC(C)C(CO)SC)n1
InChIInChI=1S/C10H17FN4OS/c1-6(8(5-16)17-3)14-9-7(11)4-13-10(12-2)15-9/h4,6,8,16H,5H2,1-3H3,(H2,12,13,14,15)
InChIKeyQUXQMFDZSIOPHJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.18
Rot. Bonds6

About 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol

3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106163493) has the molecular formula C10H17FN4OS and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
PubChem CID106163493
Molecular FormulaC10H17FN4OS
Molecular Weight260.34 g/mol
Exact Mass260.11
IUPAC Name3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
SMILESCNc1ncc(F)c(NC(C)C(CO)SC)n1
InChIInChI=1S/C10H17FN4OS/c1-6(8(5-16)17-3)14-9-7(11)4-13-10(12-2)15-9/h4,6,8,16H,5H2,1-3H3,(H2,12,13,14,15)
InChIKeyQUXQMFDZSIOPHJ-UHFFFAOYSA-N
XLogP1.18
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol (CID 106163493) is 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol is CNc1ncc(F)c(NC(C)C(CO)SC)n1.
What is the InChIKey of 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is QUXQMFDZSIOPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4OS/c1-6(8(5-16)17-3)14-9-7(11)4-13-10(12-2)15-9/h4,6,8,16H,5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106163493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).