2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine

C7H7FN6S — CID 164645832

IUPAC2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine
SMILESCc1cc(Sc2nnnn2C)nc(F)n1
InChIInChI=1S/C7H7FN6S/c1-4-3-5(10-6(8)9-4)15-7-11-12-13-14(7)2/h3H,1-2H3
InChIKeyVCVKOIQMTSLYFI-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.60
Rot. Bonds2

About 2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine

2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine (PubChem CID 164645832) has the molecular formula C7H7FN6S and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine.

Molecular Properties

Compound Name2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine
PubChem CID164645832
Molecular FormulaC7H7FN6S
Molecular Weight226.24 g/mol
Exact Mass226.04
IUPAC Name2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine
SMILESCc1cc(Sc2nnnn2C)nc(F)n1
InChIInChI=1S/C7H7FN6S/c1-4-3-5(10-6(8)9-4)15-7-11-12-13-14(7)2/h3H,1-2H3
InChIKeyVCVKOIQMTSLYFI-UHFFFAOYSA-N
XLogP0.60
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine
CID 114769847
4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80887590
[6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721387
5-bromo-4-methyl-2-(1-methyltetrazol-5-yl)sulfanylpyridine
CID 114870827
N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720216
2-bromo-6-(1-methyltetrazol-5-yl)sulfanylpyridine
CID 63963042
6-(1-methyltetrazol-5-yl)sulfanylpyridin-2-amine
CID 80653445
2-chloro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 60726872
[2-(1-methyltetrazol-5-yl)sulfanylquinolin-4-yl]methanamine
CID 63885680
3-(1-methyltetrazol-5-yl)sulfanylaniline
CID 60875770
5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine
CID 80886704
[4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922093

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine?
The IUPAC name of 2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine (CID 164645832) is 2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine.
What is the SMILES notation for 2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine?
The canonical SMILES for 2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine is Cc1cc(Sc2nnnn2C)nc(F)n1.
What is the InChIKey of 2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine?
The InChIKey is VCVKOIQMTSLYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN6S/c1-4-3-5(10-6(8)9-4)15-7-11-12-13-14(7)2/h3H,1-2H3.
What are the key properties of 2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine?
2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine has a molecular weight of 226.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine is sourced from PubChem (CID 164645832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).