4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine

C8H8FN7S — CID 80893104

IUPAC4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C8H8FN7S/c9-5-3-11-7(10)12-6(5)17-8-13-14-15-16(8)4-1-2-4/h3-4H,1-2H2,(H2,10,11,12)
InChIKeyLXIKXJWWYKPXQF-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.67
Rot. Bonds3

About 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine

4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine (PubChem CID 80893104) has the molecular formula C8H8FN7S and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine
PubChem CID80893104
Molecular FormulaC8H8FN7S
Molecular Weight253.27 g/mol
Exact Mass253.05
IUPAC Name4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C8H8FN7S/c9-5-3-11-7(10)12-6(5)17-8-13-14-15-16(8)4-1-2-4/h3-4H,1-2H2,(H2,10,11,12)
InChIKeyLXIKXJWWYKPXQF-UHFFFAOYSA-N
XLogP0.67
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-Chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine
CID 79075265
5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 79075270
2-Chloro-5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 79075593
2-chloro-5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidine
CID 79075705
2-Chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine
CID 79076831
2-Chloro-5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 79076832
2-Chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidine
CID 79076835
2-Chloro-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidine
CID 79081041
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80869109
4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 80872852
4-[(4,5-Dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidin-2-amine
CID 80873220
5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882418

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine (CID 80893104) is 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(Sc2nnnn2C2CC2)n1.
What is the InChIKey of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine?
The InChIKey is LXIKXJWWYKPXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN7S/c9-5-3-11-7(10)12-6(5)17-8-13-14-15-16(8)4-1-2-4/h3-4H,1-2H2,(H2,10,11,12).
What are the key properties of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine?
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine has a molecular weight of 253.27 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80893104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).