6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine

C10H14N8S — CID 80882968

IUPAC6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
SMILESNc1cc(Sc2nnnn2C2CCCC2)nc(N)n1
InChIInChI=1S/C10H14N8S/c11-7-5-8(14-9(12)13-7)19-10-15-16-17-18(10)6-3-1-2-4-6/h5-6H,1-4H2,(H4,11,12,13,14)
InChIKeyBIDPXUBRHRIUEV-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.89
Rot. Bonds3

About 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine

6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine (PubChem CID 80882968) has the molecular formula C10H14N8S and a molecular weight of 278.34 g/mol. Its IUPAC name is 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
PubChem CID80882968
Molecular FormulaC10H14N8S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
SMILESNc1cc(Sc2nnnn2C2CCCC2)nc(N)n1
InChIInChI=1S/C10H14N8S/c11-7-5-8(14-9(12)13-7)19-10-15-16-17-18(10)6-3-1-2-4-6/h5-6H,1-4H2,(H4,11,12,13,14)
InChIKeyBIDPXUBRHRIUEV-UHFFFAOYSA-N
XLogP0.89
TPSA121.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 80882455
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80893103
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720149
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine
CID 80883686
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80893511
5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline
CID 55132300
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769862
5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine
CID 61228113
2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine
CID 61146777
6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile
CID 133391855
2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine
CID 102716303
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile
CID 107551334

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine?
The IUPAC name of 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine (CID 80882968) is 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine is Nc1cc(Sc2nnnn2C2CCCC2)nc(N)n1.
What is the InChIKey of 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine?
The InChIKey is BIDPXUBRHRIUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8S/c11-7-5-8(14-9(12)13-7)19-10-15-16-17-18(10)6-3-1-2-4-6/h5-6H,1-4H2,(H4,11,12,13,14).
What are the key properties of 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine?
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine has a molecular weight of 278.34 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 80882968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).