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

C8H6ClFN6S — CID 79075265

IUPAC2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1Sc1nnnn1C1CC1
InChIInChI=1S/C8H6ClFN6S/c9-7-11-3-5(10)6(12-7)17-8-13-14-15-16(8)4-1-2-4/h3-4H,1-2H2
InChIKeyRASOHJIEQUQFKW-UHFFFAOYSA-N
MW272.70 g/mol
LogP1.74
Rot. Bonds3

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

2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine (PubChem CID 79075265) has the molecular formula C8H6ClFN6S and a molecular weight of 272.70 g/mol. Its IUPAC name is 2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine
PubChem CID79075265
Molecular FormulaC8H6ClFN6S
Molecular Weight272.70 g/mol
Exact Mass272.00
IUPAC Name2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1Sc1nnnn1C1CC1
InChIInChI=1S/C8H6ClFN6S/c9-7-11-3-5(10)6(12-7)17-8-13-14-15-16(8)4-1-2-4/h3-4H,1-2H2
InChIKeyRASOHJIEQUQFKW-UHFFFAOYSA-N
XLogP1.74
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine (CID 79075265) is 2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine is Fc1cnc(Cl)nc1Sc1nnnn1C1CC1.
What is the InChIKey of 2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine?
The InChIKey is RASOHJIEQUQFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN6S/c9-7-11-3-5(10)6(12-7)17-8-13-14-15-16(8)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine?
2-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine has a molecular weight of 272.70 g/mol, XLogP of 1.74, 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-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine is sourced from PubChem (CID 79075265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).