6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine

C13H23N5S — CID 80895958

IUPAC6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(N(C)C2CCCC(C)C2)n1
InChIInChI=1S/C13H23N5S/c1-9-5-4-6-10(7-9)18(2)12-8-11(17-14)15-13(16-12)19-3/h8-10H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyMASZMUIECHTYOG-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.50
Rot. Bonds4

About 6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine

6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80895958) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID80895958
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(N(C)C2CCCC(C)C2)n1
InChIInChI=1S/C13H23N5S/c1-9-5-4-6-10(7-9)18(2)12-8-11(17-14)15-13(16-12)19-3/h8-10H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyMASZMUIECHTYOG-UHFFFAOYSA-N
XLogP2.50
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine (CID 80895958) is 6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine is CSc1nc(NN)cc(N(C)C2CCCC(C)C2)n1.
What is the InChIKey of 6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is MASZMUIECHTYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-9-5-4-6-10(7-9)18(2)12-8-11(17-14)15-13(16-12)19-3/h8-10H,4-7,14H2,1-3H3,(H,15,16,17).
What are the key properties of 6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine?
6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 281.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80895958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).