6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine

C11H17N7S — CID 106106929

IUPAC6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C11H17N7S/c1-18-6-4-8(17-18)3-5-13-9-7-10(16-12)15-11(14-9)19-2/h4,6-7H,3,5,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyQNESYOVOHFAERA-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.87
Rot. Bonds6

About 6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine

6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine (PubChem CID 106106929) has the molecular formula C11H17N7S and a molecular weight of 279.37 g/mol. Its IUPAC name is 6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
PubChem CID106106929
Molecular FormulaC11H17N7S
Molecular Weight279.37 g/mol
Exact Mass279.13
IUPAC Name6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C11H17N7S/c1-18-6-4-8(17-18)3-5-13-9-7-10(16-12)15-11(14-9)19-2/h4,6-7H,3,5,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyQNESYOVOHFAERA-UHFFFAOYSA-N
XLogP0.87
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 106106836
6-hydrazinyl-2-(methoxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
CID 106106909
6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 106106888
2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106755
6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 80910991
6-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,6-diamine
CID 106106717
2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2,6-diamine
CID 104626530
6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 82874984
6-N-ethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 106106860
2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82874800
N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 80919066
4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106106748

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine (CID 106106929) is 6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine is CSc1nc(NN)cc(NCCc2ccn(C)n2)n1.
What is the InChIKey of 6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is QNESYOVOHFAERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7S/c1-18-6-4-8(17-18)3-5-13-9-7-10(16-12)15-11(14-9)19-2/h4,6-7H,3,5,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine?
6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 279.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106106929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).