N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide

C18H14ClF3N6O — CID 22545639

IUPACN'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H14ClF3N6O/c19-11-7-5-10(6-8-11)17(29)28-27-16-14(23)15(24-9-25-16)26-13-4-2-1-3-12(13)18(20,21)22/h1-9H,23H2,(H,28,29)(H2,24,25,26,27)
InChIKeyMJIAICXEHDGGHJ-UHFFFAOYSA-N
MW422.80 g/mol
LogP4.23
Rot. Bonds5

About N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide

N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide (PubChem CID 22545639) has the molecular formula C18H14ClF3N6O and a molecular weight of 422.80 g/mol. Its IUPAC name is N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
PubChem CID22545639
Molecular FormulaC18H14ClF3N6O
Molecular Weight422.80 g/mol
Exact Mass422.09
IUPAC NameN'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H14ClF3N6O/c19-11-7-5-10(6-8-11)17(29)28-27-16-14(23)15(24-9-25-16)26-13-4-2-1-3-12(13)18(20,21)22/h1-9H,23H2,(H,28,29)(H2,24,25,26,27)
InChIKeyMJIAICXEHDGGHJ-UHFFFAOYSA-N
XLogP4.23
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.80
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22545649
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22545648
N'-[5-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151006
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151022
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
CID 19145181
6-chloro-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477466
N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19144912
N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150707
N'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22544150
6-(4-chlorophenyl)sulfanyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 22545533
N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19147812
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19150984

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide (CID 22545639) is N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide is Nc1c(NNC(=O)c2ccc(Cl)cc2)ncnc1Nc1ccccc1C(F)(F)F.
What is the InChIKey of N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide?
The InChIKey is MJIAICXEHDGGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N6O/c19-11-7-5-10(6-8-11)17(29)28-27-16-14(23)15(24-9-25-16)26-13-4-2-1-3-12(13)18(20,21)22/h1-9H,23H2,(H,28,29)(H2,24,25,26,27).
What are the key properties of N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide?
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide has a molecular weight of 422.80 g/mol, XLogP of 4.23, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide is sourced from PubChem (CID 22545639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).