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

C12H18F3N5 — CID 80947726

IUPACN-cyclopropyl-6-hydrazinyl-2-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCc1nc(NN)cc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C12H18F3N5/c1-2-3-9-17-10(19-16)6-11(18-9)20(8-4-5-8)7-12(13,14)15/h6,8H,2-5,7,16H2,1H3,(H,17,18,19)
InChIKeyJLEGXWOYEIWKQH-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.25
Rot. Bonds6

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

N-cyclopropyl-6-hydrazinyl-2-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80947726) has the molecular formula C12H18F3N5 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-cyclopropyl-6-hydrazinyl-2-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-hydrazinyl-2-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80947726
Molecular FormulaC12H18F3N5
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC NameN-cyclopropyl-6-hydrazinyl-2-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCc1nc(NN)cc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C12H18F3N5/c1-2-3-9-17-10(19-16)6-11(18-9)20(8-4-5-8)7-12(13,14)15/h6,8H,2-5,7,16H2,1H3,(H,17,18,19)
InChIKeyJLEGXWOYEIWKQH-UHFFFAOYSA-N
XLogP2.25
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.25
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-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-hydrazinyl-2-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80947726) is N-cyclopropyl-6-hydrazinyl-2-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-hydrazinyl-2-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-hydrazinyl-2-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCCc1nc(NN)cc(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-6-hydrazinyl-2-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is JLEGXWOYEIWKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c1-2-3-9-17-10(19-16)6-11(18-9)20(8-4-5-8)7-12(13,14)15/h6,8H,2-5,7,16H2,1H3,(H,17,18,19).
What are the key properties of N-cyclopropyl-6-hydrazinyl-2-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
N-cyclopropyl-6-hydrazinyl-2-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 289.31 g/mol, XLogP of 2.25, 6 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-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80947726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).