2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol

C9H14FN3OS — CID 80885067

IUPAC2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol
SMILESCCCNc1ncc(F)c(SCCO)n1
InChIInChI=1S/C9H14FN3OS/c1-2-3-11-9-12-6-7(10)8(13-9)15-5-4-14/h6,14H,2-5H2,1H3,(H,11,12,13)
InChIKeyBIUGPRFTLMVGCH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.52
Rot. Bonds6

About 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol

2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol (PubChem CID 80885067) has the molecular formula C9H14FN3OS and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol
PubChem CID80885067
Molecular FormulaC9H14FN3OS
Molecular Weight231.30 g/mol
Exact Mass231.08
IUPAC Name2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol
SMILESCCCNc1ncc(F)c(SCCO)n1
InChIInChI=1S/C9H14FN3OS/c1-2-3-11-9-12-6-7(10)8(13-9)15-5-4-14/h6,14H,2-5H2,1H3,(H,11,12,13)
InChIKeyBIUGPRFTLMVGCH-UHFFFAOYSA-N
XLogP1.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine
CID 80887050
5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765489
5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine
CID 80889743
4-[(2-chlorophenyl)methylsulfanyl]-5-fluoro-N-propylpyrimidin-2-amine
CID 103291569
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866703
5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
CID 80889363
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80891276
5-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80895354
5-methyl-4-methylsulfanyl-N-propylpyrimidin-2-amine
CID 80886307
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80849132

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol?
The IUPAC name of 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol (CID 80885067) is 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol.
What is the SMILES notation for 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol?
The canonical SMILES for 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol is CCCNc1ncc(F)c(SCCO)n1.
What is the InChIKey of 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol?
The InChIKey is BIUGPRFTLMVGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3OS/c1-2-3-11-9-12-6-7(10)8(13-9)15-5-4-14/h6,14H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol?
2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol has a molecular weight of 231.30 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol is sourced from PubChem (CID 80885067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).