N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine

C13H17N5OS — CID 80905693

IUPACN-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCOc1cccc(Nc2cc(NN)nc(SC)n2)c1
InChIInChI=1S/C13H17N5OS/c1-3-19-10-6-4-5-9(7-10)15-11-8-12(18-14)17-13(16-11)20-2/h4-8H,3,14H2,1-2H3,(H2,15,16,17,18)
InChIKeySZOHVPRXURSSNG-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.63
Rot. Bonds6

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

N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80905693) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80905693
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCOc1cccc(Nc2cc(NN)nc(SC)n2)c1
InChIInChI=1S/C13H17N5OS/c1-3-19-10-6-4-5-9(7-10)15-11-8-12(18-14)17-13(16-11)20-2/h4-8H,3,14H2,1-2H3,(H2,15,16,17,18)
InChIKeySZOHVPRXURSSNG-UHFFFAOYSA-N
XLogP2.63
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.63
H-Bond Donors ≤ 53
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-(3-ethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80905017
6-hydrazinyl-N-(3-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80947184
6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine
CID 63961957
N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80927041
N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905492
[3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] propanoate
CID 9148786
N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107617990
N-(3-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80905291
N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine
CID 80912895
4-N-(3-methylphenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80755461
3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine
CID 140989971
6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine
CID 80913186

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine (CID 80905693) is N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is CCOc1cccc(Nc2cc(NN)nc(SC)n2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is SZOHVPRXURSSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-3-19-10-6-4-5-9(7-10)15-11-8-12(18-14)17-13(16-11)20-2/h4-8H,3,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine?
N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 291.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80905693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).