4-hydrazinyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine

C10H16F3N7 — CID 80919028

IUPAC4-hydrazinyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine
SMILESNNc1cc(N2CCN(CC(F)(F)F)CC2)nc(N)n1
InChIInChI=1S/C10H16F3N7/c11-10(12,13)6-19-1-3-20(4-2-19)8-5-7(18-15)16-9(14)17-8/h5H,1-4,6,15H2,(H3,14,16,17,18)
InChIKeyMERKNYDEPVDBKR-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.03
Rot. Bonds3

About 4-hydrazinyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine

4-hydrazinyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 80919028) has the molecular formula C10H16F3N7 and a molecular weight of 291.28 g/mol. Its IUPAC name is 4-hydrazinyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID80919028
Molecular FormulaC10H16F3N7
Molecular Weight291.28 g/mol
Exact Mass291.14
IUPAC Name4-hydrazinyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine
SMILESNNc1cc(N2CCN(CC(F)(F)F)CC2)nc(N)n1
InChIInChI=1S/C10H16F3N7/c11-10(12,13)6-19-1-3-20(4-2-19)8-5-7(18-15)16-9(14)17-8/h5H,1-4,6,15H2,(H3,14,16,17,18)
InChIKeyMERKNYDEPVDBKR-UHFFFAOYSA-N
XLogP0.03
TPSA96.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.03
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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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-hydrazinyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine (CID 80919028) is 4-hydrazinyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine is NNc1cc(N2CCN(CC(F)(F)F)CC2)nc(N)n1.
What is the InChIKey of 4-hydrazinyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is MERKNYDEPVDBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N7/c11-10(12,13)6-19-1-3-20(4-2-19)8-5-7(18-15)16-9(14)17-8/h5H,1-4,6,15H2,(H3,14,16,17,18).
What are the key properties of 4-hydrazinyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine?
4-hydrazinyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 291.28 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80919028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).