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

C10H12FN7S — CID 80883686

IUPAC4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Sc2nnnn2C2CCCC2)n1
InChIInChI=1S/C10H12FN7S/c11-7-5-13-9(12)14-8(7)19-10-15-16-17-18(10)6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,13,14)
InChIKeyIGHFVQCQDBULPR-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.45
Rot. Bonds3

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

4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine (PubChem CID 80883686) has the molecular formula C10H12FN7S and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine
PubChem CID80883686
Molecular FormulaC10H12FN7S
Molecular Weight281.32 g/mol
Exact Mass281.09
IUPAC Name4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Sc2nnnn2C2CCCC2)n1
InChIInChI=1S/C10H12FN7S/c11-7-5-13-9(12)14-8(7)19-10-15-16-17-18(10)6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,13,14)
InChIKeyIGHFVQCQDBULPR-UHFFFAOYSA-N
XLogP1.45
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine
CID 80886704
5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine
CID 61228113
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
CID 80882968
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 80882455
2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine
CID 61146777
5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine
CID 103519137
(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine
CID 29276029
1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol
CID 63814144
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine
CID 80893018
5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline
CID 55132300
5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine
CID 66320984
6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80870012

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine (CID 80883686) is 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(Sc2nnnn2C2CCCC2)n1.
What is the InChIKey of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine?
The InChIKey is IGHFVQCQDBULPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN7S/c11-7-5-13-9(12)14-8(7)19-10-15-16-17-18(10)6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,13,14).
What are the key properties of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine?
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine has a molecular weight of 281.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80883686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).