6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine

C13H17N5S2 — CID 80918851

IUPAC6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
SMILESCSc1nc(NN)cc(NC2CCCc3sccc32)n1
InChIInChI=1S/C13H17N5S2/c1-19-13-16-11(7-12(17-13)18-14)15-9-3-2-4-10-8(9)5-6-20-10/h5-7,9H,2-4,14H2,1H3,(H2,15,16,17,18)
InChIKeyOHLRDNXVKOVFHA-UHFFFAOYSA-N
MW307.45 g/mol
LogP3.04
Rot. Bonds4

About 6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine

6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine (PubChem CID 80918851) has the molecular formula C13H17N5S2 and a molecular weight of 307.45 g/mol. Its IUPAC name is 6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
PubChem CID80918851
Molecular FormulaC13H17N5S2
Molecular Weight307.45 g/mol
Exact Mass307.09
IUPAC Name6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
SMILESCSc1nc(NN)cc(NC2CCCc3sccc32)n1
InChIInChI=1S/C13H17N5S2/c1-19-13-16-11(7-12(17-13)18-14)15-9-3-2-4-10-8(9)5-6-20-10/h5-7,9H,2-4,14H2,1H3,(H2,15,16,17,18)
InChIKeyOHLRDNXVKOVFHA-UHFFFAOYSA-N
XLogP3.04
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80919316
3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine
CID 102761994
N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80931790
4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80825322
1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine
CID 62841267
2-N,2-N-dimethyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 64830473
5-bromo-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80824799
2-ethyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)-1H-pyrimidin-6-one
CID 136975495
6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine
CID 62840803
2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
CID 81007227
2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333485
2-methyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzene-1,4-diamine
CID 62840971

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine (CID 80918851) is 6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine is CSc1nc(NN)cc(NC2CCCc3sccc32)n1.
What is the InChIKey of 6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine?
The InChIKey is OHLRDNXVKOVFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S2/c1-19-13-16-11(7-12(17-13)18-14)15-9-3-2-4-10-8(9)5-6-20-10/h5-7,9H,2-4,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine?
6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine has a molecular weight of 307.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80918851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).