N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide

C19H22Cl2N6O — CID 19143643

IUPACN'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESNc1c(NCCC2=CCCCC2)ncnc1NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N6O/c20-13-6-7-14(15(21)10-13)19(28)27-26-18-16(22)17(24-11-25-18)23-9-8-12-4-2-1-3-5-12/h4,6-7,10-11H,1-3,5,8-9,22H2,(H,27,28)(H2,23,24,25,26)
InChIKeyIEEQVIMUDIXZIK-UHFFFAOYSA-N
MW421.33 g/mol
LogP4.42
Rot. Bonds7

About N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide

N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (PubChem CID 19143643) has the molecular formula C19H22Cl2N6O and a molecular weight of 421.33 g/mol. Its IUPAC name is N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
PubChem CID19143643
Molecular FormulaC19H22Cl2N6O
Molecular Weight421.33 g/mol
Exact Mass420.12
IUPAC NameN'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESNc1c(NCCC2=CCCCC2)ncnc1NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N6O/c20-13-6-7-14(15(21)10-13)19(28)27-26-18-16(22)17(24-11-25-18)23-9-8-12-4-2-1-3-5-12/h4,6-7,10-11H,1-3,5,8-9,22H2,(H,27,28)(H2,23,24,25,26)
InChIKeyIEEQVIMUDIXZIK-UHFFFAOYSA-N
XLogP4.42
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(propylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19135477
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22543062
N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151722
4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine
CID 19137103
N'-[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22544373
N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151677
N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151719
N'-[5-amino-6-(4-propan-2-ylanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19134693
dimethyl 5-[[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547619
2,4-dichloro-N'-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]benzohydrazide
CID 22536463
ethyl 4-[[5-amino-6-[2-(2,4-dichlorobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19146373

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (CID 19143643) is N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is Nc1c(NCCC2=CCCCC2)ncnc1NNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The InChIKey is IEEQVIMUDIXZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N6O/c20-13-6-7-14(15(21)10-13)19(28)27-26-18-16(22)17(24-11-25-18)23-9-8-12-4-2-1-3-5-12/h4,6-7,10-11H,1-3,5,8-9,22H2,(H,27,28)(H2,23,24,25,26).
What are the key properties of N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide has a molecular weight of 421.33 g/mol, XLogP of 4.42, 7 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-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is sourced from PubChem (CID 19143643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).