N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide

C17H15FN6O — CID 19145181

IUPACN'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
SMILESNc1c(NNC(=O)c2ccccc2)ncnc1Nc1ccccc1F
InChIInChI=1S/C17H15FN6O/c18-12-8-4-5-9-13(12)22-15-14(19)16(21-10-20-15)23-24-17(25)11-6-2-1-3-7-11/h1-10H,19H2,(H,24,25)(H2,20,21,22,23)
InChIKeyCPNQWQGRBYBIQZ-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.70
Rot. Bonds5

About N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide

N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide (PubChem CID 19145181) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
PubChem CID19145181
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC NameN'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
SMILESNc1c(NNC(=O)c2ccccc2)ncnc1Nc1ccccc1F
InChIInChI=1S/C17H15FN6O/c18-12-8-4-5-9-13(12)22-15-14(19)16(21-10-20-15)23-24-17(25)11-6-2-1-3-7-11/h1-10H,19H2,(H,24,25)(H2,20,21,22,23)
InChIKeyCPNQWQGRBYBIQZ-UHFFFAOYSA-N
XLogP2.70
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.70
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-fluoroanilino)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19145195
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19145189
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145201
N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19147812
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
CID 19144770
N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide
CID 10466983
N'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22544150
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 22545639
N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19144908
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19150697
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

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide (CID 19145181) is N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide is Nc1c(NNC(=O)c2ccccc2)ncnc1Nc1ccccc1F.
What is the InChIKey of N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide?
The InChIKey is CPNQWQGRBYBIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c18-12-8-4-5-9-13(12)22-15-14(19)16(21-10-20-15)23-24-17(25)11-6-2-1-3-7-11/h1-10H,19H2,(H,24,25)(H2,20,21,22,23).
What are the key properties of N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide?
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide has a molecular weight of 338.35 g/mol, XLogP of 2.70, 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-fluoroanilino)pyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 19145181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).