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

C19H20N6O3 — CID 19142733

IUPACN'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide
SMILESCOc1ccc(OC)c(Nc2ncnc(NNC(=O)c3ccccc3)c2N)c1
InChIInChI=1S/C19H20N6O3/c1-27-13-8-9-15(28-2)14(10-13)23-17-16(20)18(22-11-21-17)24-25-19(26)12-6-4-3-5-7-12/h3-11H,20H2,1-2H3,(H,25,26)(H2,21,22,23,24)
InChIKeyICZAATUBVBFMPO-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.58
Rot. Bonds7

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

N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide (PubChem CID 19142733) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide
PubChem CID19142733
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide
SMILESCOc1ccc(OC)c(Nc2ncnc(NNC(=O)c3ccccc3)c2N)c1
InChIInChI=1S/C19H20N6O3/c1-27-13-8-9-15(28-2)14(10-13)23-17-16(20)18(22-11-21-17)24-25-19(26)12-6-4-3-5-7-12/h3-11H,20H2,1-2H3,(H,25,26)(H2,21,22,23,24)
InChIKeyICZAATUBVBFMPO-UHFFFAOYSA-N
XLogP2.58
TPSA123.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19142738
4-N-(2,5-dimethoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19142678
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19145195
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744
N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19142907
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22545649
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151751
4-[[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid
CID 19151801
N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22541951
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
CID 19145181
N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide
CID 19150367
N'-[5-amino-6-(5-chloro-2,4-dimethoxyanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151549

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide (CID 19142733) is N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide is COc1ccc(OC)c(Nc2ncnc(NNC(=O)c3ccccc3)c2N)c1.
What is the InChIKey of N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide?
The InChIKey is ICZAATUBVBFMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-27-13-8-9-15(28-2)14(10-13)23-17-16(20)18(22-11-21-17)24-25-19(26)12-6-4-3-5-7-12/h3-11H,20H2,1-2H3,(H,25,26)(H2,21,22,23,24).
What are the key properties of N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide?
N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide has a molecular weight of 380.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2,5-dimethoxyanilino)pyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 19142733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).