N-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine

C7H10FN3S — CID 130653655

IUPACN-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine
SMILESCSc1cnc(NCCF)nc1
InChIInChI=1S/C7H10FN3S/c1-12-6-4-10-7(11-5-6)9-3-2-8/h4-5H,2-3H2,1H3,(H,9,10,11)
InChIKeyUAXFTSFHWNMLTR-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.58
Rot. Bonds4

About N-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine

N-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine (PubChem CID 130653655) has the molecular formula C7H10FN3S and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine
PubChem CID130653655
Molecular FormulaC7H10FN3S
Molecular Weight187.24 g/mol
Exact Mass187.06
IUPAC NameN-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine
SMILESCSc1cnc(NCCF)nc1
InChIInChI=1S/C7H10FN3S/c1-12-6-4-10-7(11-5-6)9-3-2-8/h4-5H,2-3H2,1H3,(H,9,10,11)
InChIKeyUAXFTSFHWNMLTR-UHFFFAOYSA-N
XLogP1.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 112703775
N-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine
CID 164968196
3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide
CID 154604187
N-(3-fluoropropyl)-5-iodopyrimidin-2-amine
CID 130504349
5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine
CID 115749812
2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine
CID 154604207
5-fluoro-N-octylpyrimidin-2-amine
CID 115765356
5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine
CID 115750228
5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
CID 104843854
4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol
CID 115750155
N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115749816
5-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130504146

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine?
The IUPAC name of N-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine (CID 130653655) is N-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine is CSc1cnc(NCCF)nc1.
What is the InChIKey of N-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine?
The InChIKey is UAXFTSFHWNMLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3S/c1-12-6-4-10-7(11-5-6)9-3-2-8/h4-5H,2-3H2,1H3,(H,9,10,11).
What are the key properties of N-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine?
N-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine has a molecular weight of 187.24 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 130653655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).