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

C13H19N7S — CID 80869111

IUPAC4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Sc2nnnn2C2CCCC2)n1
InChIInChI=1S/C13H19N7S/c1-2-8-14-12-15-9-7-11(16-12)21-13-17-18-19-20(13)10-5-3-4-6-10/h7,9-10H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyARNYNAJXKUJETD-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.55
Rot. Bonds6

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

4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine (PubChem CID 80869111) has the molecular formula C13H19N7S and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
PubChem CID80869111
Molecular FormulaC13H19N7S
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC Name4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Sc2nnnn2C2CCCC2)n1
InChIInChI=1S/C13H19N7S/c1-2-8-14-12-15-9-7-11(16-12)21-13-17-18-19-20(13)10-5-3-4-6-10/h7,9-10H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyARNYNAJXKUJETD-UHFFFAOYSA-N
XLogP2.55
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine
CID 80893017
4-(4-chlorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80888094
[6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol
CID 80651687
4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine
CID 80869196
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine
CID 43262768
6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile
CID 133391855
1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64649712
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylbutan-2-amine
CID 64648928
4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine
CID 80886291
4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine
CID 80873237
4-(3,4-dichlorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891234
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
CID 80882968

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine (CID 80869111) is 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine is CCCNc1nccc(Sc2nnnn2C2CCCC2)n1.
What is the InChIKey of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine?
The InChIKey is ARNYNAJXKUJETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7S/c1-2-8-14-12-15-9-7-11(16-12)21-13-17-18-19-20(13)10-5-3-4-6-10/h7,9-10H,2-6,8H2,1H3,(H,14,15,16).
What are the key properties of 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine?
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine has a molecular weight of 305.41 g/mol, XLogP of 2.55, 6 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-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80869111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).