N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide

C17H13ClF2N6O — CID 19151561

IUPACN'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1cc(F)ccc1F
InChIInChI=1S/C17H13ClF2N6O/c18-10-3-1-2-9(6-10)17(27)26-25-16-14(21)15(22-8-23-16)24-13-7-11(19)4-5-12(13)20/h1-8H,21H2,(H,26,27)(H2,22,23,24,25)
InChIKeyQEWCATNUIAOJMJ-UHFFFAOYSA-N
MW390.78 g/mol
LogP3.49
Rot. Bonds5

About N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide

N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide (PubChem CID 19151561) has the molecular formula C17H13ClF2N6O and a molecular weight of 390.78 g/mol. Its IUPAC name is N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
PubChem CID19151561
Molecular FormulaC17H13ClF2N6O
Molecular Weight390.78 g/mol
Exact Mass390.08
IUPAC NameN'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1cc(F)ccc1F
InChIInChI=1S/C17H13ClF2N6O/c18-10-3-1-2-9(6-10)17(27)26-25-16-14(21)15(22-8-23-16)24-13-7-11(19)4-5-12(13)20/h1-8H,21H2,(H,26,27)(H2,22,23,24,25)
InChIKeyQEWCATNUIAOJMJ-UHFFFAOYSA-N
XLogP3.49
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.78
LogP ≤ 53.49
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-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151926
N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151582
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19150628
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 22541026
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19144781
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150925
N'-[5-amino-6-(4-chloro-2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22546471
N'-[5-amino-6-(5-chloro-2,4-dimethoxyanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151549
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19148807
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
CID 19145181
N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19135280
N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151564

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide (CID 19151561) is N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide is Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1Nc1cc(F)ccc1F.
What is the InChIKey of N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The InChIKey is QEWCATNUIAOJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N6O/c18-10-3-1-2-9(6-10)17(27)26-25-16-14(21)15(22-8-23-16)24-13-7-11(19)4-5-12(13)20/h1-8H,21H2,(H,26,27)(H2,22,23,24,25).
What are the key properties of N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide has a molecular weight of 390.78 g/mol, XLogP of 3.49, 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]-3-chlorobenzohydrazide is sourced from PubChem (CID 19151561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).