2-[[1-(4-fluorophenyl)cyclopropyl]amino]-N-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide

C16H13F4N5O2 — CID 167428361

IUPAC2-[[1-(4-fluorophenyl)cyclopropyl]amino]-N-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide
SMILESNN(C(=O)c1cnc(NC2(c3ccc(F)cc3)CC2)nc1)C(=O)C(F)(F)F
InChIInChI=1S/C16H13F4N5O2/c17-11-3-1-10(2-4-11)15(5-6-15)24-14-22-7-9(8-23-14)12(26)25(21)13(27)16(18,19)20/h1-4,7-8H,5-6,21H2,(H,22,23,24)
InChIKeyFEPCHHGHRJXPOC-UHFFFAOYSA-N
MW383.31 g/mol
LogP2.12
Rot. Bonds4

About 2-[[1-(4-fluorophenyl)cyclopropyl]amino]-N-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide

2-[[1-(4-fluorophenyl)cyclopropyl]amino]-N-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide (PubChem CID 167428361) has the molecular formula C16H13F4N5O2 and a molecular weight of 383.31 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)cyclopropyl]amino]-N-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)cyclopropyl]amino]-N-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide
PubChem CID167428361
Molecular FormulaC16H13F4N5O2
Molecular Weight383.31 g/mol
Exact Mass383.10
IUPAC Name2-[[1-(4-fluorophenyl)cyclopropyl]amino]-N-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide
SMILESNN(C(=O)c1cnc(NC2(c3ccc(F)cc3)CC2)nc1)C(=O)C(F)(F)F
InChIInChI=1S/C16H13F4N5O2/c17-11-3-1-10(2-4-11)15(5-6-15)24-14-22-7-9(8-23-14)12(26)25(21)13(27)16(18,19)20/h1-4,7-8H,5-6,21H2,(H,22,23,24)
InChIKeyFEPCHHGHRJXPOC-UHFFFAOYSA-N
XLogP2.12
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 2-[[1-(4-fluorophenyl)cyclopropyl]amino]-N-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide?
The IUPAC name of 2-[[1-(4-fluorophenyl)cyclopropyl]amino]-N-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide (CID 167428361) is 2-[[1-(4-fluorophenyl)cyclopropyl]amino]-N-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)cyclopropyl]amino]-N-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide?
The canonical SMILES for 2-[[1-(4-fluorophenyl)cyclopropyl]amino]-N-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide is NN(C(=O)c1cnc(NC2(c3ccc(F)cc3)CC2)nc1)C(=O)C(F)(F)F.
What is the InChIKey of 2-[[1-(4-fluorophenyl)cyclopropyl]amino]-N-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide?
The InChIKey is FEPCHHGHRJXPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N5O2/c17-11-3-1-10(2-4-11)15(5-6-15)24-14-22-7-9(8-23-14)12(26)25(21)13(27)16(18,19)20/h1-4,7-8H,5-6,21H2,(H,22,23,24).
What are the key properties of 2-[[1-(4-fluorophenyl)cyclopropyl]amino]-N-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide?
2-[[1-(4-fluorophenyl)cyclopropyl]amino]-N-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide has a molecular weight of 383.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)cyclopropyl]amino]-N-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide is sourced from PubChem (CID 167428361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).