3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol

C10H16FN3OS — CID 80891276

IUPAC3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
SMILESCCNc1ncc(F)c(SCC(C)CO)n1
InChIInChI=1S/C10H16FN3OS/c1-3-12-10-13-4-8(11)9(14-10)16-6-7(2)5-15/h4,7,15H,3,5-6H2,1-2H3,(H,12,13,14)
InChIKeyZSLFBYOWERMOLX-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.77
Rot. Bonds6

About 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol

3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol (PubChem CID 80891276) has the molecular formula C10H16FN3OS and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
PubChem CID80891276
Molecular FormulaC10H16FN3OS
Molecular Weight245.32 g/mol
Exact Mass245.10
IUPAC Name3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
SMILESCCNc1ncc(F)c(SCC(C)CO)n1
InChIInChI=1S/C10H16FN3OS/c1-3-12-10-13-4-8(11)9(14-10)16-6-7(2)5-15/h4,7,15H,3,5-6H2,1-2H3,(H,12,13,14)
InChIKeyZSLFBYOWERMOLX-UHFFFAOYSA-N
XLogP1.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine
CID 80887050
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772815
3-[5-chloro-2-(ethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80894566
2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885067
N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 106497884
3-[(3,5-difluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 112676075
N-ethyl-5-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80892715
N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine
CID 80887336
4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80851152
3-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80891280
4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80889927
N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80890860

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol (CID 80891276) is 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol is CCNc1ncc(F)c(SCC(C)CO)n1.
What is the InChIKey of 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol?
The InChIKey is ZSLFBYOWERMOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3OS/c1-3-12-10-13-4-8(11)9(14-10)16-6-7(2)5-15/h4,7,15H,3,5-6H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol?
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol has a molecular weight of 245.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 80891276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).