4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine

C11H14FN7S — CID 80882565

IUPAC4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2nnnn2C2CCCC2)n1
InChIInChI=1S/C11H14FN7S/c1-13-10-14-6-8(12)9(15-10)20-11-16-17-18-19(11)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,13,14,15)
InChIKeyFQDDXDUUJRLGMI-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.91
Rot. Bonds4

About 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine

4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80882565) has the molecular formula C11H14FN7S and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80882565
Molecular FormulaC11H14FN7S
Molecular Weight295.35 g/mol
Exact Mass295.10
IUPAC Name4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2nnnn2C2CCCC2)n1
InChIInChI=1S/C11H14FN7S/c1-13-10-14-6-8(12)9(15-10)20-11-16-17-18-19(11)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,13,14,15)
InChIKeyFQDDXDUUJRLGMI-UHFFFAOYSA-N
XLogP1.91
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.91
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
2-Chloro-5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 79075593
2-Chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine
CID 79076831
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
5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882418
5-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882527
5-fluoro-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882688
N-ethyl-5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882691
5-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882932
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

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine (CID 80882565) is 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(Sc2nnnn2C2CCCC2)n1.
What is the InChIKey of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is FQDDXDUUJRLGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN7S/c1-13-10-14-6-8(12)9(15-10)20-11-16-17-18-19(11)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine?
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 295.35 g/mol, XLogP of 1.91, 4 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-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80882565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).