N-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C10H14F3N5 — CID 80901675

IUPACN-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1nc(NN)cc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C10H14F3N5/c1-6-15-8(17-14)4-9(16-6)18(7-2-3-7)5-10(11,12)13/h4,7H,2-3,5,14H2,1H3,(H,15,16,17)
InChIKeyTYYJHSVJGRCWPA-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.60
Rot. Bonds4

About N-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

N-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80901675) has the molecular formula C10H14F3N5 and a molecular weight of 261.25 g/mol. Its IUPAC name is N-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80901675
Molecular FormulaC10H14F3N5
Molecular Weight261.25 g/mol
Exact Mass261.12
IUPAC NameN-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1nc(NN)cc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C10H14F3N5/c1-6-15-8(17-14)4-9(16-6)18(7-2-3-7)5-10(11,12)13/h4,7H,2-3,5,14H2,1H3,(H,15,16,17)
InChIKeyTYYJHSVJGRCWPA-UHFFFAOYSA-N
XLogP1.60
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80901675) is N-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is Cc1nc(NN)cc(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is TYYJHSVJGRCWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5/c1-6-15-8(17-14)4-9(16-6)18(7-2-3-7)5-10(11,12)13/h4,7H,2-3,5,14H2,1H3,(H,15,16,17).
What are the key properties of N-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
N-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 261.25 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80901675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).