N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

C12H15N5S — CID 80932956

IUPACN-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCc2ccccc2)n1
InChIInChI=1S/C12H15N5S/c1-18-12-15-10(7-11(16-12)17-13)14-8-9-5-3-2-4-6-9/h2-7H,8,13H2,1H3,(H2,14,15,16,17)
InChIKeyUNVROFJKGOXVKZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.10
Rot. Bonds5

About N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80932956) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80932956
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC NameN-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCc2ccccc2)n1
InChIInChI=1S/C12H15N5S/c1-18-12-15-10(7-11(16-12)17-13)14-8-9-5-3-2-4-6-9/h2-7H,8,13H2,1H3,(H2,14,15,16,17)
InChIKeyUNVROFJKGOXVKZ-UHFFFAOYSA-N
XLogP2.10
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.10
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-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856
6-N-methyl-2-methylsulfanyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80773056
N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720987
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80771670
4-N-[(4-chlorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80765688
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80926174
1-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 80907263
N-(2,3-dimethylbutyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80918315
6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-2-methylsulfanylpyrimidin-4-amine
CID 102909009
6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 106379019
6-hydrazinyl-2-methylsulfanyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80922985
N-[(4-fluorophenyl)methyl]-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 171705235

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (CID 80932956) is N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is CSc1nc(NN)cc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is UNVROFJKGOXVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-18-12-15-10(7-11(16-12)17-13)14-8-9-5-3-2-4-6-9/h2-7H,8,13H2,1H3,(H2,14,15,16,17).
What are the key properties of N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 261.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80932956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).