5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine

C17H18F3N5 — CID 145295570

IUPAC5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine
SMILESC=C(NN)c1cnc(NC2(c3cccc(C(F)(F)F)c3)CCC2)nc1
InChIInChI=1S/C17H18F3N5/c1-11(25-21)12-9-22-15(23-10-12)24-16(6-3-7-16)13-4-2-5-14(8-13)17(18,19)20/h2,4-5,8-10,25H,1,3,6-7,21H2,(H,22,23,24)
InChIKeyLHMNJJBZINGJLF-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.42
Rot. Bonds5

About 5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine

5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine (PubChem CID 145295570) has the molecular formula C17H18F3N5 and a molecular weight of 349.36 g/mol. Its IUPAC name is 5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine
PubChem CID145295570
Molecular FormulaC17H18F3N5
Molecular Weight349.36 g/mol
Exact Mass349.15
IUPAC Name5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine
SMILESC=C(NN)c1cnc(NC2(c3cccc(C(F)(F)F)c3)CCC2)nc1
InChIInChI=1S/C17H18F3N5/c1-11(25-21)12-9-22-15(23-10-12)24-16(6-3-7-16)13-4-2-5-14(8-13)17(18,19)20/h2,4-5,8-10,25H,1,3,6-7,21H2,(H,22,23,24)
InChIKeyLHMNJJBZINGJLF-UHFFFAOYSA-N
XLogP3.42
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.42
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

ethane;2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide
CID 145295682
ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide
CID 145295636
N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 166663654
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-2-amine;ethane
CID 145295587
2-[[1-(3,5-difluorophenyl)cyclobutyl]amino]pyrimidine-5-carbohydrazide;ethane
CID 145295547
N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide
CID 71997220
2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide
CID 129032992
ethane;ethyl 2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carboxylate
CID 145295737
2-(4-aminophenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide
CID 119806400
2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N'-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide
CID 129033045
ethane;2-[[1-(3-fluorophenyl)cyclopropyl]amino]-N'-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide
CID 145295784
N-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine
CID 175322826

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine?
The IUPAC name of 5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine (CID 145295570) is 5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine.
What is the SMILES notation for 5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine?
The canonical SMILES for 5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine is C=C(NN)c1cnc(NC2(c3cccc(C(F)(F)F)c3)CCC2)nc1.
What is the InChIKey of 5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine?
The InChIKey is LHMNJJBZINGJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5/c1-11(25-21)12-9-22-15(23-10-12)24-16(6-3-7-16)13-4-2-5-14(8-13)17(18,19)20/h2,4-5,8-10,25H,1,3,6-7,21H2,(H,22,23,24).
What are the key properties of 5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine?
5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine has a molecular weight of 349.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydrazinylethenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrimidin-2-amine is sourced from PubChem (CID 145295570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).