(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;1,1,1-trifluoropropane

C9H14F3N3OS — CID 153366474

IUPAC(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.CSc1ncc(CO)c(N)n1
InChIInChI=1S/C6H9N3OS.C3H5F3/c1-11-6-8-2-4(3-10)5(7)9-6;1-2-3(4,5)6/h2,10H,3H2,1H3,(H2,7,8,9);2H2,1H3
InChIKeyXMBDOYKVFJUYIT-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.23
Rot. Bonds2

About (4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;1,1,1-trifluoropropane

(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;1,1,1-trifluoropropane (PubChem CID 153366474) has the molecular formula C9H14F3N3OS and a molecular weight of 269.29 g/mol. Its IUPAC name is (4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;1,1,1-trifluoropropane.

Molecular Properties

Compound Name(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;1,1,1-trifluoropropane
PubChem CID153366474
Molecular FormulaC9H14F3N3OS
Molecular Weight269.29 g/mol
Exact Mass269.08
IUPAC Name(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.CSc1ncc(CO)c(N)n1
InChIInChI=1S/C6H9N3OS.C3H5F3/c1-11-6-8-2-4(3-10)5(7)9-6;1-2-3(4,5)6/h2,10H,3H2,1H3,(H2,7,8,9);2H2,1H3
InChIKeyXMBDOYKVFJUYIT-UHFFFAOYSA-N
XLogP2.23
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanol
CID 777
4-Amino-2-methoxy-5-pyrimidinemethanol
CID 96318
4-Amino-2-(ethylthio)-5-(hydroxymethyl)pyrimidine
CID 225433
4-Amino-5-hydroxymethylpyrimidine
CID 193440
Toxopyrimidine hydrochloride
CID 12359174
(4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol
CID 59419388
(2-Aminopyrimidin-5-yl)methanol
CID 21615172
[4-Amino-2-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 23615502
(2-(Methylsulfanyl)pyrimidin-5-yl)methanol
CID 22050485
2,4-Diamino-5-pyrimidinemethanol
CID 295878
Methioprim
CID 220531
1-(4-Fluoro-2-methylsulfanylpyrimidin-5-yl)ethanol
CID 10419979

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;1,1,1-trifluoropropane?
The IUPAC name of (4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;1,1,1-trifluoropropane (CID 153366474) is (4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;1,1,1-trifluoropropane.
What is the SMILES notation for (4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;1,1,1-trifluoropropane?
The canonical SMILES for (4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;1,1,1-trifluoropropane is CCC(F)(F)F.CSc1ncc(CO)c(N)n1.
What is the InChIKey of (4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;1,1,1-trifluoropropane?
The InChIKey is XMBDOYKVFJUYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS.C3H5F3/c1-11-6-8-2-4(3-10)5(7)9-6;1-2-3(4,5)6/h2,10H,3H2,1H3,(H2,7,8,9);2H2,1H3.
What are the key properties of (4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;1,1,1-trifluoropropane?
(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;1,1,1-trifluoropropane has a molecular weight of 269.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;1,1,1-trifluoropropane is sourced from PubChem (CID 153366474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).