6-hydrazinyl-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine

C10H16F3N5 — CID 115523268

IUPAC6-hydrazinyl-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(NCCCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N5/c1-6-8(15-5-3-4-10(11,12)13)16-7(2)17-9(6)18-14/h3-5,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyABZAOCRLEDBZSD-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.13
Rot. Bonds5

About 6-hydrazinyl-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine

6-hydrazinyl-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine (PubChem CID 115523268) has the molecular formula C10H16F3N5 and a molecular weight of 263.27 g/mol. Its IUPAC name is 6-hydrazinyl-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
PubChem CID115523268
Molecular FormulaC10H16F3N5
Molecular Weight263.27 g/mol
Exact Mass263.14
IUPAC Name6-hydrazinyl-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(NCCCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N5/c1-6-8(15-5-3-4-10(11,12)13)16-7(2)17-9(6)18-14/h3-5,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyABZAOCRLEDBZSD-UHFFFAOYSA-N
XLogP2.13
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine (CID 115523268) is 6-hydrazinyl-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine is Cc1nc(NN)c(C)c(NCCCC(F)(F)F)n1.
What is the InChIKey of 6-hydrazinyl-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The InChIKey is ABZAOCRLEDBZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5/c1-6-8(15-5-3-4-10(11,12)13)16-7(2)17-9(6)18-14/h3-5,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
6-hydrazinyl-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine has a molecular weight of 263.27 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine is sourced from PubChem (CID 115523268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).