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

C18H22N8O2 — CID 19151497

IUPACN'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(NCCCn2ccnc2)c1N
InChIInChI=1S/C18H22N8O2/c1-28-14-6-3-2-5-13(14)18(27)25-24-17-15(19)16(22-11-23-17)21-7-4-9-26-10-8-20-12-26/h2-3,5-6,8,10-12H,4,7,9,19H2,1H3,(H,25,27)(H2,21,22,23,24)
InChIKeyOHXNMUDIIFDEFD-UHFFFAOYSA-N
MW382.43 g/mol
LogP1.52
Rot. Bonds9

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

N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide (PubChem CID 19151497) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
PubChem CID19151497
Molecular FormulaC18H22N8O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC NameN'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(NCCCn2ccnc2)c1N
InChIInChI=1S/C18H22N8O2/c1-28-14-6-3-2-5-13(14)18(27)25-24-17-15(19)16(22-11-23-17)21-7-4-9-26-10-8-20-12-26/h2-3,5-6,8,10-12H,4,7,9,19H2,1H3,(H,25,27)(H2,21,22,23,24)
InChIKeyOHXNMUDIIFDEFD-UHFFFAOYSA-N
XLogP1.52
TPSA132.01 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151722
6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 19144273
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide
CID 23477575
N'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19144360
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide
CID 19151456
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19134881
6-N-(3-imidazol-1-ylpropyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154120
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19145725
N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151506

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide?
The IUPAC name of N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide (CID 19151497) is N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide is COc1ccccc1C(=O)NNc1ncnc(NCCCn2ccnc2)c1N.
What is the InChIKey of N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide?
The InChIKey is OHXNMUDIIFDEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-28-14-6-3-2-5-13(14)18(27)25-24-17-15(19)16(22-11-23-17)21-7-4-9-26-10-8-20-12-26/h2-3,5-6,8,10-12H,4,7,9,19H2,1H3,(H,25,27)(H2,21,22,23,24).
What are the key properties of N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide?
N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide has a molecular weight of 382.43 g/mol, XLogP of 1.52, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide is sourced from PubChem (CID 19151497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).