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

C19H18Cl2N6O2 — CID 19151724

IUPACN'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESCCOc1ccccc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C19H18Cl2N6O2/c1-2-29-15-6-4-3-5-14(15)25-17-16(22)18(24-10-23-17)26-27-19(28)12-8-7-11(20)9-13(12)21/h3-10H,2,22H2,1H3,(H,27,28)(H2,23,24,25,26)
InChIKeyIEGZXQWDNOCEKM-UHFFFAOYSA-N
MW433.30 g/mol
LogP4.26
Rot. Bonds7

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

N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (PubChem CID 19151724) has the molecular formula C19H18Cl2N6O2 and a molecular weight of 433.30 g/mol. Its IUPAC name is N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
PubChem CID19151724
Molecular FormulaC19H18Cl2N6O2
Molecular Weight433.30 g/mol
Exact Mass432.09
IUPAC NameN'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESCCOc1ccccc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C19H18Cl2N6O2/c1-2-29-15-6-4-3-5-14(15)25-17-16(22)18(24-10-23-17)26-27-19(28)12-8-7-11(20)9-13(12)21/h3-10H,2,22H2,1H3,(H,27,28)(H2,23,24,25,26)
InChIKeyIEGZXQWDNOCEKM-UHFFFAOYSA-N
XLogP4.26
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 54.26
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]-4-chlorobenzohydrazide
CID 19151022
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22545648
ethyl 4-[[5-amino-6-[2-(2,4-dichlorobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19146373
N'-[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22544373
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19135477
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22539627
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19146738
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19135671
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19145189
N'-[5-amino-6-(4-propan-2-ylanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19134693
N'-[5-amino-6-(2,4-dichloroanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149808

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (CID 19151724) is N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is CCOc1ccccc1Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N.
What is the InChIKey of N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The InChIKey is IEGZXQWDNOCEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6O2/c1-2-29-15-6-4-3-5-14(15)25-17-16(22)18(24-10-23-17)26-27-19(28)12-8-7-11(20)9-13(12)21/h3-10H,2,22H2,1H3,(H,27,28)(H2,23,24,25,26).
What are the key properties of N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide has a molecular weight of 433.30 g/mol, XLogP of 4.26, 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]-2,4-dichlorobenzohydrazide is sourced from PubChem (CID 19151724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).