N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide

C17H18Cl2N8O — CID 19151722

IUPACN'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESNc1c(NCCCn2ccnc2)ncnc1NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N8O/c18-11-2-3-12(13(19)8-11)17(28)26-25-16-14(20)15(23-9-24-16)22-4-1-6-27-7-5-21-10-27/h2-3,5,7-10H,1,4,6,20H2,(H,26,28)(H2,22,23,24,25)
InChIKeyCCWZUYIMSSSHGM-UHFFFAOYSA-N
MW421.29 g/mol
LogP2.82
Rot. Bonds8

About N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide

N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (PubChem CID 19151722) has the molecular formula C17H18Cl2N8O and a molecular weight of 421.29 g/mol. Its IUPAC name is N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
PubChem CID19151722
Molecular FormulaC17H18Cl2N8O
Molecular Weight421.29 g/mol
Exact Mass420.10
IUPAC NameN'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESNc1c(NCCCn2ccnc2)ncnc1NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N8O/c18-11-2-3-12(13(19)8-11)17(28)26-25-16-14(20)15(23-9-24-16)22-4-1-6-27-7-5-21-10-27/h2-3,5,7-10H,1,4,6,20H2,(H,26,28)(H2,22,23,24,25)
InChIKeyCCWZUYIMSSSHGM-UHFFFAOYSA-N
XLogP2.82
TPSA122.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151497
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19143643
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19135671
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22539627
6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 19144273
N'-[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22544373
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
4-[[5-amino-6-[2-(2,4-dichlorobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide
CID 19145329
4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154198
N'-[5-amino-6-(4-propan-2-ylanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19134693

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (CID 19151722) is N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is Nc1c(NCCCn2ccnc2)ncnc1NNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The InChIKey is CCWZUYIMSSSHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N8O/c18-11-2-3-12(13(19)8-11)17(28)26-25-16-14(20)15(23-9-24-16)22-4-1-6-27-7-5-21-10-27/h2-3,5,7-10H,1,4,6,20H2,(H,26,28)(H2,22,23,24,25).
What are the key properties of N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide has a molecular weight of 421.29 g/mol, XLogP of 2.82, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is sourced from PubChem (CID 19151722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).