N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine

C13H24N6S — CID 105421075

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C13H24N6S/c1-18(2)13(6-5-7-13)9-19(3)11-8-10(17-14)15-12(16-11)20-4/h8H,5-7,9,14H2,1-4H3,(H,15,16,17)
InChIKeyDYHJICPQIZAJPU-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.40
Rot. Bonds6

About N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 105421075) has the molecular formula C13H24N6S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID105421075
Molecular FormulaC13H24N6S
Molecular Weight296.44 g/mol
Exact Mass296.18
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C13H24N6S/c1-18(2)13(6-5-7-13)9-19(3)11-8-10(17-14)15-12(16-11)20-4/h8H,5-7,9,14H2,1-4H3,(H,15,16,17)
InChIKeyDYHJICPQIZAJPU-UHFFFAOYSA-N
XLogP1.40
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.40
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-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 105421058
4-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954261
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methylpyridin-2-amine
CID 105421047
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80922994
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80906376
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80907218
1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114954053
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 105420923
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80899995
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 105420998
6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine
CID 80895958
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
CID 105420936

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 105421075) is N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine is CSc1nc(NN)cc(N(C)CC2(N(C)C)CCC2)n1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is DYHJICPQIZAJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6S/c1-18(2)13(6-5-7-13)9-19(3)11-8-10(17-14)15-12(16-11)20-4/h8H,5-7,9,14H2,1-4H3,(H,15,16,17).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 296.44 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 105421075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).