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

C13H12F3N5 — CID 80969109

IUPAC2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine
SMILESNNc1cc(Nc2c(F)cc(F)cc2F)nc(C2CC2)n1
InChIInChI=1S/C13H12F3N5/c14-7-3-8(15)12(9(16)4-7)18-10-5-11(21-17)20-13(19-10)6-1-2-6/h3-6H,1-2,17H2,(H2,18,19,20,21)
InChIKeyXMZVFQRHPPYCII-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.80
Rot. Bonds4

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

2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine (PubChem CID 80969109) has the molecular formula C13H12F3N5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine
PubChem CID80969109
Molecular FormulaC13H12F3N5
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC Name2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine
SMILESNNc1cc(Nc2c(F)cc(F)cc2F)nc(C2CC2)n1
InChIInChI=1S/C13H12F3N5/c14-7-3-8(15)12(9(16)4-7)18-10-5-11(21-17)20-13(19-10)6-1-2-6/h3-6H,1-2,17H2,(H2,18,19,20,21)
InChIKeyXMZVFQRHPPYCII-UHFFFAOYSA-N
XLogP2.80
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.80
H-Bond Donors ≤ 53
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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Related Compounds

2-cyclopropyl-N-(2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969096
N-(5-bromo-2,4-difluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 102855651
N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80964867
2-cyclopropyl-N-(2,6-dichlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969290
2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80968458
N-cyclopentyl-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80968820
[2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80980397
2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80969098
N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80968707
2-cyclopropyl-N-(2,5-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968268
2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969126
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855136

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine (CID 80969109) is 2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine is NNc1cc(Nc2c(F)cc(F)cc2F)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is XMZVFQRHPPYCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5/c14-7-3-8(15)12(9(16)4-7)18-10-5-11(21-17)20-13(19-10)6-1-2-6/h3-6H,1-2,17H2,(H2,18,19,20,21).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 295.27 g/mol, XLogP of 2.80, 4 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-(2,4,6-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 80969109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).