6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

C12H16N6S — CID 80906376

IUPAC6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCSc1nc(NN)cc(N(C)Cc2ccncc2)n1
InChIInChI=1S/C12H16N6S/c1-18(8-9-3-5-14-6-4-9)11-7-10(17-13)15-12(16-11)19-2/h3-7H,8,13H2,1-2H3,(H,15,16,17)
InChIKeyKTWBZXBGYFUHTO-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.52
Rot. Bonds5

About 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine

6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 80906376) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
PubChem CID80906376
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCSc1nc(NN)cc(N(C)Cc2ccncc2)n1
InChIInChI=1S/C12H16N6S/c1-18(8-9-3-5-14-6-4-9)11-7-10(17-13)15-12(16-11)19-2/h3-7H,8,13H2,1-2H3,(H,15,16,17)
InChIKeyKTWBZXBGYFUHTO-UHFFFAOYSA-N
XLogP1.52
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.52
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

6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80907338
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80907218
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80899995
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80922994
2-hydrazinyl-N,6-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80906970
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 105421075
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80794822
4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80793975
6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80782018
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80794329
4-[[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954261
2-tert-butyl-4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80960657

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (CID 80906376) is 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is CSc1nc(NN)cc(N(C)Cc2ccncc2)n1.
What is the InChIKey of 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is KTWBZXBGYFUHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c1-18(8-9-3-5-14-6-4-9)11-7-10(17-13)15-12(16-11)19-2/h3-7H,8,13H2,1-2H3,(H,15,16,17).
What are the key properties of 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 276.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80906376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).