2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine

C14H17N5S — CID 80969098

IUPAC2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
SMILESCSc1cccc(Nc2cc(NN)nc(C3CC3)n2)c1
InChIInChI=1S/C14H17N5S/c1-20-11-4-2-3-10(7-11)16-12-8-13(19-15)18-14(17-12)9-5-6-9/h2-4,7-9H,5-6,15H2,1H3,(H2,16,17,18,19)
InChIKeyLIPXQANLZSCCNG-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.11
Rot. Bonds5

About 2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine

2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine (PubChem CID 80969098) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
PubChem CID80969098
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
SMILESCSc1cccc(Nc2cc(NN)nc(C3CC3)n2)c1
InChIInChI=1S/C14H17N5S/c1-20-11-4-2-3-10(7-11)16-12-8-13(19-15)18-14(17-12)9-5-6-9/h2-4,7-9H,5-6,15H2,1H3,(H2,16,17,18,19)
InChIKeyLIPXQANLZSCCNG-UHFFFAOYSA-N
XLogP3.11
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.11
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine (CID 80969098) is 2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine is CSc1cccc(Nc2cc(NN)nc(C3CC3)n2)c1.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine?
The InChIKey is LIPXQANLZSCCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-20-11-4-2-3-10(7-11)16-12-8-13(19-15)18-14(17-12)9-5-6-9/h2-4,7-9H,5-6,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine has a molecular weight of 287.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80969098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).