3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol

C10H15F3N4OS — CID 106163550

IUPAC3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4OS/c1-5(6(4-18)19-2)15-8-3-7(14)16-9(17-8)10(11,12)13/h3,5-6,18H,4H2,1-2H3,(H3,14,15,16,17)
InChIKeyVNYRXZZOBHBQSL-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.60
Rot. Bonds5

About 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol

3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106163550) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
PubChem CID106163550
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC Name3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4OS/c1-5(6(4-18)19-2)15-8-3-7(14)16-9(17-8)10(11,12)13/h3,5-6,18H,4H2,1-2H3,(H3,14,15,16,17)
InChIKeyVNYRXZZOBHBQSL-UHFFFAOYSA-N
XLogP1.60
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol (CID 106163550) is 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)Nc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is VNYRXZZOBHBQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-5(6(4-18)19-2)15-8-3-7(14)16-9(17-8)10(11,12)13/h3,5-6,18H,4H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 296.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106163550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).