6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine

C15H21N5S — CID 115916202

IUPAC6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine
SMILESCSCC(C)CNc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C15H21N5S/c1-11(10-21-2)9-17-13-8-14(20-16)19-15(18-13)12-6-4-3-5-7-12/h3-8,11H,9-10,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyAAVACGBSCXMPDC-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.84
Rot. Bonds7

About 6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine

6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine (PubChem CID 115916202) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine
PubChem CID115916202
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine
SMILESCSCC(C)CNc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C15H21N5S/c1-11(10-21-2)9-17-13-8-14(20-16)19-15(18-13)12-6-4-3-5-7-12/h3-8,11H,9-10,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyAAVACGBSCXMPDC-UHFFFAOYSA-N
XLogP2.84
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.84
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 6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine (CID 115916202) is 6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine is CSCC(C)CNc1cc(NN)nc(-c2ccccc2)n1.
What is the InChIKey of 6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine?
The InChIKey is AAVACGBSCXMPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-11(10-21-2)9-17-13-8-14(20-16)19-15(18-13)12-6-4-3-5-7-12/h3-8,11H,9-10,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine?
6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine has a molecular weight of 303.44 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 115916202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).