N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide

C19H19FN6O — CID 19143341

IUPACN'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
SMILESCc1ccc(Nc2ncnc(NNC(=O)c3ccc(F)cc3)c2N)c(C)c1
InChIInChI=1S/C19H19FN6O/c1-11-3-8-15(12(2)9-11)24-17-16(21)18(23-10-22-17)25-26-19(27)13-4-6-14(20)7-5-13/h3-10H,21H2,1-2H3,(H,26,27)(H2,22,23,24,25)
InChIKeySAIHAICFDOTZAM-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.32
Rot. Bonds5

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

N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide (PubChem CID 19143341) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
PubChem CID19143341
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC NameN'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
SMILESCc1ccc(Nc2ncnc(NNC(=O)c3ccc(F)cc3)c2N)c(C)c1
InChIInChI=1S/C19H19FN6O/c1-11-3-8-15(12(2)9-11)24-17-16(21)18(23-10-22-17)25-26-19(27)13-4-6-14(20)7-5-13/h3-10H,21H2,1-2H3,(H,26,27)(H2,22,23,24,25)
InChIKeySAIHAICFDOTZAM-UHFFFAOYSA-N
XLogP3.32
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.32
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-(4-chloro-2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22546471
N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19147812
N'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22544150
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22541016
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19148584
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150755
N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22540325
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19149613
N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19143355
N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide
CID 23477568
N'-[5-amino-6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150738
N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 23495471

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide (CID 19143341) is N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide is Cc1ccc(Nc2ncnc(NNC(=O)c3ccc(F)cc3)c2N)c(C)c1.
What is the InChIKey of N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The InChIKey is SAIHAICFDOTZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-11-3-8-15(12(2)9-11)24-17-16(21)18(23-10-22-17)25-26-19(27)13-4-6-14(20)7-5-13/h3-10H,21H2,1-2H3,(H,26,27)(H2,22,23,24,25).
What are the key properties of N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide has a molecular weight of 366.40 g/mol, XLogP of 3.32, 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-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide is sourced from PubChem (CID 19143341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).