N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide

C19H19ClN6O2 — CID 19151022

IUPACN'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
SMILESCCOc1ccccc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1N
InChIInChI=1S/C19H19ClN6O2/c1-2-28-15-6-4-3-5-14(15)24-17-16(21)18(23-11-22-17)25-26-19(27)12-7-9-13(20)10-8-12/h3-11H,2,21H2,1H3,(H,26,27)(H2,22,23,24,25)
InChIKeyBGHYXKHBIUAFHZ-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.61
Rot. Bonds7

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

N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide (PubChem CID 19151022) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
PubChem CID19151022
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC NameN'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
SMILESCCOc1ccccc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1N
InChIInChI=1S/C19H19ClN6O2/c1-2-28-15-6-4-3-5-14(15)24-17-16(21)18(23-11-22-17)25-26-19(27)12-7-9-13(20)10-8-12/h3-11H,2,21H2,1H3,(H,26,27)(H2,22,23,24,25)
InChIKeyBGHYXKHBIUAFHZ-UHFFFAOYSA-N
XLogP3.61
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-ethoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151344
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151724
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 22545639
N'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22544150
N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535053
N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19144912
N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide
CID 22541478
N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150707
N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19147812
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19145195
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
CID 19145181
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-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide (CID 19151022) is N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide is CCOc1ccccc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1N.
What is the InChIKey of N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide?
The InChIKey is BGHYXKHBIUAFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c1-2-28-15-6-4-3-5-14(15)24-17-16(21)18(23-11-22-17)25-26-19(27)12-7-9-13(20)10-8-12/h3-11H,2,21H2,1H3,(H,26,27)(H2,22,23,24,25).
What are the key properties of N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide?
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide has a molecular weight of 398.85 g/mol, XLogP of 3.61, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide is sourced from PubChem (CID 19151022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).