2-cyclopropyl-6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine

C12H18F3N5 — CID 115523316

IUPAC2-cyclopropyl-6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
SMILESNNc1cc(NCCCCC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C12H18F3N5/c13-12(14,15)5-1-2-6-17-9-7-10(20-16)19-11(18-9)8-3-4-8/h7-8H,1-6,16H2,(H2,17,18,19,20)
InChIKeyCIWKUCKODDRUMI-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.78
Rot. Bonds7

About 2-cyclopropyl-6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine

2-cyclopropyl-6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine (PubChem CID 115523316) has the molecular formula C12H18F3N5 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
PubChem CID115523316
Molecular FormulaC12H18F3N5
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC Name2-cyclopropyl-6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine
SMILESNNc1cc(NCCCCC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C12H18F3N5/c13-12(14,15)5-1-2-6-17-9-7-10(20-16)19-11(18-9)8-3-4-8/h7-8H,1-6,16H2,(H2,17,18,19,20)
InChIKeyCIWKUCKODDRUMI-UHFFFAOYSA-N
XLogP2.78
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.78
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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Related Compounds

4-N-(cyclopropylmethyl)-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 122456433
N-cyclopropyl-2-(difluoromethyl)-5-fluoro-6-hydrazinylpyrimidin-4-amine
CID 141303976
6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80898766
6-hydrazinyl-N,2-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80899433
6-hydrazinyl-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80900141
N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80900325
6-hydrazinyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80900673
4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80900812
6-hydrazinyl-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80901011
6-hydrazinyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80901511
N-cyclopropyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80901675
N-ethyl-6-hydrazinyl-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80902136

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine (CID 115523316) is 2-cyclopropyl-6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine is NNc1cc(NCCCCC(F)(F)F)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine?
The InChIKey is CIWKUCKODDRUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c13-12(14,15)5-1-2-6-17-9-7-10(20-16)19-11(18-9)8-3-4-8/h7-8H,1-6,16H2,(H2,17,18,19,20).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine has a molecular weight of 289.31 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrimidin-4-amine is sourced from PubChem (CID 115523316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).