(2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine

C9H15N5S2 — CID 80932159

IUPAC(2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
SMILESCSc1nc(NN)cc(N2CCSCC2)n1
InChIInChI=1S/C9H15N5S2/c1-15-9-11-7(13-10)6-8(12-9)14-2-4-16-5-3-14/h6H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyGNIRQKOKDVTXBK-UHFFFAOYSA-N
MW257.39 g/mol
LogP1.04
Rot. Bonds3

About (2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine

(2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine (PubChem CID 80932159) has the molecular formula C9H15N5S2 and a molecular weight of 257.39 g/mol. Its IUPAC name is (2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
PubChem CID80932159
Molecular FormulaC9H15N5S2
Molecular Weight257.39 g/mol
Exact Mass257.08
IUPAC Name(2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
SMILESCSc1nc(NN)cc(N2CCSCC2)n1
InChIInChI=1S/C9H15N5S2/c1-15-9-11-7(13-10)6-8(12-9)14-2-4-16-5-3-14/h6H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyGNIRQKOKDVTXBK-UHFFFAOYSA-N
XLogP1.04
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.39
LogP ≤ 51.04
H-Bond Donors ≤ 52
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

N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80796529
[2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80924868
[6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80908426
1-[4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 80901943
(2-propyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 13393618
[1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629757
ethane;N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 90766757
[6-(2-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80898992
4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80931065
4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine
CID 80765741
[2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80903003
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80930524

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine?
The IUPAC name of (2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine (CID 80932159) is (2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine is CSc1nc(NN)cc(N2CCSCC2)n1.
What is the InChIKey of (2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine?
The InChIKey is GNIRQKOKDVTXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S2/c1-15-9-11-7(13-10)6-8(12-9)14-2-4-16-5-3-14/h6H,2-5,10H2,1H3,(H,11,12,13).
What are the key properties of (2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine?
(2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine has a molecular weight of 257.39 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80932159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).