2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine

C10H10ClFN6S — CID 79076831

IUPAC2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1Sc1nnnn1C1CCCC1
InChIInChI=1S/C10H10ClFN6S/c11-9-13-5-7(12)8(14-9)19-10-15-16-17-18(10)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyVKNFZZZAEHAHFY-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.52
Rot. Bonds3

About 2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine

2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine (PubChem CID 79076831) has the molecular formula C10H10ClFN6S and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine
PubChem CID79076831
Molecular FormulaC10H10ClFN6S
Molecular Weight300.75 g/mol
Exact Mass300.04
IUPAC Name2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1Sc1nnnn1C1CCCC1
InChIInChI=1S/C10H10ClFN6S/c11-9-13-5-7(12)8(14-9)19-10-15-16-17-18(10)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyVKNFZZZAEHAHFY-UHFFFAOYSA-N
XLogP2.52
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-[(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-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80882565
5-fluoro-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882688
5-Fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80883190
4-(1-Cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine
CID 80883686
5-Fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine
CID 80886704

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine (CID 79076831) is 2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine is Fc1cnc(Cl)nc1Sc1nnnn1C1CCCC1.
What is the InChIKey of 2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine?
The InChIKey is VKNFZZZAEHAHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN6S/c11-9-13-5-7(12)8(14-9)19-10-15-16-17-18(10)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine?
2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine has a molecular weight of 300.75 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine is sourced from PubChem (CID 79076831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).