2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine

C8H9N7S — CID 61146777

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine
SMILESNc1cnc(Sc2nnnn2C2CC2)nc1
InChIInChI=1S/C8H9N7S/c9-5-3-10-7(11-4-5)16-8-12-13-14-15(8)6-1-2-6/h3-4,6H,1-2,9H2
InChIKeyKVLXZKOVQQHAIS-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.53
Rot. Bonds3

About 2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine

2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine (PubChem CID 61146777) has the molecular formula C8H9N7S and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine
PubChem CID61146777
Molecular FormulaC8H9N7S
Molecular Weight235.28 g/mol
Exact Mass235.06
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine
SMILESNc1cnc(Sc2nnnn2C2CC2)nc1
InChIInChI=1S/C8H9N7S/c9-5-3-10-7(11-4-5)16-8-12-13-14-15(8)6-1-2-6/h3-4,6H,1-2,9H2
InChIKeyKVLXZKOVQQHAIS-UHFFFAOYSA-N
XLogP0.53
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 80882455
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine
CID 80893018
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80893511
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720149
5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine
CID 66320984
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine
CID 80883686
5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine
CID 61228113
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
CID 80882968
[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528934
5-(1-cyclopropyltetrazol-5-yl)sulfanylisoquinolin-8-amine
CID 43448960
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid
CID 114214948
5-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine
CID 103519137

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine (CID 61146777) is 2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine is Nc1cnc(Sc2nnnn2C2CC2)nc1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine?
The InChIKey is KVLXZKOVQQHAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7S/c9-5-3-10-7(11-4-5)16-8-12-13-14-15(8)6-1-2-6/h3-4,6H,1-2,9H2.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine?
2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine has a molecular weight of 235.28 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine is sourced from PubChem (CID 61146777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).