6-hydrazinyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

C9H15F3N6 — CID 80900673

IUPAC6-hydrazinyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCC(C)N(CC(F)(F)F)c1cc(NN)nc(N)n1
InChIInChI=1S/C9H15F3N6/c1-5(2)18(4-9(10,11)12)7-3-6(17-14)15-8(13)16-7/h3,5H,4,14H2,1-2H3,(H3,13,15,16,17)
InChIKeyZZPLUCHQAWHANC-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.12
Rot. Bonds4

About 6-hydrazinyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

6-hydrazinyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (PubChem CID 80900673) has the molecular formula C9H15F3N6 and a molecular weight of 264.25 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
PubChem CID80900673
Molecular FormulaC9H15F3N6
Molecular Weight264.25 g/mol
Exact Mass264.13
IUPAC Name6-hydrazinyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCC(C)N(CC(F)(F)F)c1cc(NN)nc(N)n1
InChIInChI=1S/C9H15F3N6/c1-5(2)18(4-9(10,11)12)7-3-6(17-14)15-8(13)16-7/h3,5H,4,14H2,1-2H3,(H3,13,15,16,17)
InChIKeyZZPLUCHQAWHANC-UHFFFAOYSA-N
XLogP1.12
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.12
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-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (CID 80900673) is 6-hydrazinyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is CC(C)N(CC(F)(F)F)c1cc(NN)nc(N)n1.
What is the InChIKey of 6-hydrazinyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The InChIKey is ZZPLUCHQAWHANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N6/c1-5(2)18(4-9(10,11)12)7-3-6(17-14)15-8(13)16-7/h3,5H,4,14H2,1-2H3,(H3,13,15,16,17).
What are the key properties of 6-hydrazinyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine has a molecular weight of 264.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80900673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).