6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine

C14H19N5S — CID 80969003

IUPAC6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCSc1cccc(Nc2cc(NN)nc(C(C)C)n2)c1
InChIInChI=1S/C14H19N5S/c1-9(2)14-17-12(8-13(18-14)19-15)16-10-5-4-6-11(7-10)20-3/h4-9H,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyZQTWJUWRDMZMTF-UHFFFAOYSA-N
MW289.41 g/mol
LogP3.35
Rot. Bonds5

About 6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine

6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80969003) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80969003
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCSc1cccc(Nc2cc(NN)nc(C(C)C)n2)c1
InChIInChI=1S/C14H19N5S/c1-9(2)14-17-12(8-13(18-14)19-15)16-10-5-4-6-11(7-10)20-3/h4-9H,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyZQTWJUWRDMZMTF-UHFFFAOYSA-N
XLogP3.35
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 53.35
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

2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80969098
6-hydrazinyl-N-(2-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 107647320
N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80969189
6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine
CID 80647295
1-N-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 80962948
6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80544469
2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile
CID 80963733
N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80905693
2-tert-butyl-6-chloro-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80948595
N-cyclopropyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968411
N-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 82858768
5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione
CID 23412179

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine (CID 80969003) is 6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine is CSc1cccc(Nc2cc(NN)nc(C(C)C)n2)c1.
What is the InChIKey of 6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZQTWJUWRDMZMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-9(2)14-17-12(8-13(18-14)19-15)16-10-5-4-6-11(7-10)20-3/h4-9H,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine?
6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 289.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80969003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).