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

C13H25N5S — CID 102909009

IUPAC6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCC(C(C)C)C(C)C)n1
InChIInChI=1S/C13H25N5S/c1-8(2)10(9(3)4)7-15-11-6-12(18-14)17-13(16-11)19-5/h6,8-10H,7,14H2,1-5H3,(H2,15,16,17,18)
InChIKeyGDAMGXLRIHIVCC-UHFFFAOYSA-N
MW283.45 g/mol
LogP2.82
Rot. Bonds7

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

6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 102909009) has the molecular formula C13H25N5S and a molecular weight of 283.45 g/mol. Its IUPAC name is 6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID102909009
Molecular FormulaC13H25N5S
Molecular Weight283.45 g/mol
Exact Mass283.18
IUPAC Name6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCC(C(C)C)C(C)C)n1
InChIInChI=1S/C13H25N5S/c1-8(2)10(9(3)4)7-15-11-6-12(18-14)17-13(16-11)19-5/h6,8-10H,7,14H2,1-5H3,(H2,15,16,17,18)
InChIKeyGDAMGXLRIHIVCC-UHFFFAOYSA-N
XLogP2.82
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.45
LogP ≤ 52.82
H-Bond Donors ≤ 53
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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Related Compounds

N-(2,3-dimethylbutyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80918315
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 80907263
4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80921541
2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol
CID 80907395
6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80922985
N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80932956
[6-(2-methylpropylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80925282
N'-ethyl-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 80919066
N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80927041
6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 80915241
6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80897715
6-hydrazinyl-N-[(3-methylcyclopentyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 107416021

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine (CID 102909009) is 6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine is CSc1nc(NN)cc(NCC(C(C)C)C(C)C)n1.
What is the InChIKey of 6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is GDAMGXLRIHIVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5S/c1-8(2)10(9(3)4)7-15-11-6-12(18-14)17-13(16-11)19-5/h6,8-10H,7,14H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine?
6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 283.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 102909009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).