N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine

C9H14FN3S — CID 80887050

IUPACN-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine
SMILESCCCSc1nc(NCC)ncc1F
InChIInChI=1S/C9H14FN3S/c1-3-5-14-8-7(10)6-12-9(13-8)11-4-2/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyXJWQUSYFNBDYIK-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.55
Rot. Bonds5

About N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine

N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine (PubChem CID 80887050) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine
PubChem CID80887050
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC NameN-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine
SMILESCCCSc1nc(NCC)ncc1F
InChIInChI=1S/C9H14FN3S/c1-3-5-14-8-7(10)6-12-9(13-8)11-4-2/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyXJWQUSYFNBDYIK-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885067
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80891276
4-(4-bromophenyl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80893337
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-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine
CID 80884313
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772815
4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80889927
N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80890860
N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 106497884
5-fluoro-4-[(2-methylphenyl)methylsulfanyl]-N-propylpyrimidin-2-amine
CID 80889743
4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 80894473

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine (CID 80887050) is N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine is CCCSc1nc(NCC)ncc1F.
What is the InChIKey of N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine?
The InChIKey is XJWQUSYFNBDYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3S/c1-3-5-14-8-7(10)6-12-9(13-8)11-4-2/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine?
N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80887050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).