N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide

C18H16F2N6O — CID 19150925

IUPACN'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc(Nc2cc(F)ccc2F)c1N
InChIInChI=1S/C18H16F2N6O/c1-10-4-2-3-5-12(10)18(27)26-25-17-15(21)16(22-9-23-17)24-14-8-11(19)6-7-13(14)20/h2-9H,21H2,1H3,(H,26,27)(H2,22,23,24,25)
InChIKeyBICMEKKBNUAFJM-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.15
Rot. Bonds5

About N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide

N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide (PubChem CID 19150925) has the molecular formula C18H16F2N6O and a molecular weight of 370.36 g/mol. Its IUPAC name is N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
PubChem CID19150925
Molecular FormulaC18H16F2N6O
Molecular Weight370.36 g/mol
Exact Mass370.14
IUPAC NameN'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc(Nc2cc(F)ccc2F)c1N
InChIInChI=1S/C18H16F2N6O/c1-10-4-2-3-5-12(10)18(27)26-25-17-15(21)16(22-9-23-17)24-14-8-11(19)6-7-13(14)20/h2-9H,21H2,1H3,(H,26,27)(H2,22,23,24,25)
InChIKeyBICMEKKBNUAFJM-UHFFFAOYSA-N
XLogP3.15
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.15
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-(2,5-dichloroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19146738
N'-[5-amino-6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 22547281
N'-[5-amino-6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22547285
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151561
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151926
N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19147812
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150924
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19145189
N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150903
N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22535812
N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 22546673
N'-[5-amino-6-(4-chloro-2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22546471

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The IUPAC name of N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide (CID 19150925) is N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNc1ncnc(Nc2cc(F)ccc2F)c1N.
What is the InChIKey of N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The InChIKey is BICMEKKBNUAFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O/c1-10-4-2-3-5-12(10)18(27)26-25-17-15(21)16(22-9-23-17)24-14-8-11(19)6-7-13(14)20/h2-9H,21H2,1H3,(H,26,27)(H2,22,23,24,25).
What are the key properties of N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide?
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide has a molecular weight of 370.36 g/mol, XLogP of 3.15, 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-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide is sourced from PubChem (CID 19150925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).