6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine

C10H13N7S — CID 80882455

IUPAC6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
SMILESNc1cc(Sc2nnnn2C2CCCC2)ncn1
InChIInChI=1S/C10H13N7S/c11-8-5-9(13-6-12-8)18-10-14-15-16-17(10)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
InChIKeyILHWOPNPBFKPFP-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.31
Rot. Bonds3

About 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine

6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine (PubChem CID 80882455) has the molecular formula C10H13N7S and a molecular weight of 263.33 g/mol. Its IUPAC name is 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
PubChem CID80882455
Molecular FormulaC10H13N7S
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
SMILESNc1cc(Sc2nnnn2C2CCCC2)ncn1
InChIInChI=1S/C10H13N7S/c11-8-5-9(13-6-12-8)18-10-14-15-16-17(10)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
InChIKeyILHWOPNPBFKPFP-UHFFFAOYSA-N
XLogP1.31
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
CID 80882968
5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine
CID 61228113
2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine
CID 61146777
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720149
5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline
CID 55132300
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine
CID 80893018
[6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol
CID 80651687
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine
CID 80883686
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
6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80870012
(1S)-1-[3-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 78938021

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine (CID 80882455) is 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine is Nc1cc(Sc2nnnn2C2CCCC2)ncn1.
What is the InChIKey of 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine?
The InChIKey is ILHWOPNPBFKPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7S/c11-8-5-9(13-6-12-8)18-10-14-15-16-17(10)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13).
What are the key properties of 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine?
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine has a molecular weight of 263.33 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80882455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).