6-hydrazinyl-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C10H16F3N5S — CID 80900672

IUPAC6-hydrazinyl-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCN(CC(F)(F)F)c1cc(NN)nc(SC)n1
InChIInChI=1S/C10H16F3N5S/c1-3-4-18(6-10(11,12)13)8-5-7(17-14)15-9(16-8)19-2/h5H,3-4,6,14H2,1-2H3,(H,15,16,17)
InChIKeyKCNGRGFFHRBDBW-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.26
Rot. Bonds6

About 6-hydrazinyl-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-hydrazinyl-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80900672) has the molecular formula C10H16F3N5S and a molecular weight of 295.33 g/mol. Its IUPAC name is 6-hydrazinyl-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80900672
Molecular FormulaC10H16F3N5S
Molecular Weight295.33 g/mol
Exact Mass295.11
IUPAC Name6-hydrazinyl-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCN(CC(F)(F)F)c1cc(NN)nc(SC)n1
InChIInChI=1S/C10H16F3N5S/c1-3-4-18(6-10(11,12)13)8-5-7(17-14)15-9(16-8)19-2/h5H,3-4,6,14H2,1-2H3,(H,15,16,17)
InChIKeyKCNGRGFFHRBDBW-UHFFFAOYSA-N
XLogP2.26
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
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-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80900672) is 6-hydrazinyl-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCCN(CC(F)(F)F)c1cc(NN)nc(SC)n1.
What is the InChIKey of 6-hydrazinyl-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is KCNGRGFFHRBDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5S/c1-3-4-18(6-10(11,12)13)8-5-7(17-14)15-9(16-8)19-2/h5H,3-4,6,14H2,1-2H3,(H,15,16,17).
What are the key properties of 6-hydrazinyl-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-hydrazinyl-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 295.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-methylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80900672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).