[(2Z)-2-[[2-[ethyl-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]carbamoyl]phenyl]hydrazinylidene]ethylidene]azanium

C20H27N6O2+ — CID 145100115

IUPAC[(2Z)-2-[[2-[ethyl-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]carbamoyl]phenyl]hydrazinylidene]ethylidene]azanium
SMILESCCN(CCc1ncc(C(C)(C)O)cn1)C(=O)c1ccccc1N/N=C\C=[NH2+]
InChIInChI=1S/C20H26N6O2/c1-4-26(12-9-18-22-13-15(14-23-18)20(2,3)28)19(27)16-7-5-6-8-17(16)25-24-11-10-21/h5-8,10-11,13-14,21,25,28H,4,9,12H2,1-3H3/p+1/b21-10?,24-11-
InChIKeyGIAGHFQYJYUDQT-FKHZBJISSA-O
MW383.48 g/mol
LogP0.64
Rot. Bonds9

About [(2Z)-2-[[2-[ethyl-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]carbamoyl]phenyl]hydrazinylidene]ethylidene]azanium

[(2Z)-2-[[2-[ethyl-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]carbamoyl]phenyl]hydrazinylidene]ethylidene]azanium (PubChem CID 145100115) has the molecular formula C20H27N6O2+ and a molecular weight of 383.48 g/mol. Its IUPAC name is [(2Z)-2-[[2-[ethyl-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]carbamoyl]phenyl]hydrazinylidene]ethylidene]azanium.

Molecular Properties

Compound Name[(2Z)-2-[[2-[ethyl-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]carbamoyl]phenyl]hydrazinylidene]ethylidene]azanium
PubChem CID145100115
Molecular FormulaC20H27N6O2+
Molecular Weight383.48 g/mol
Exact Mass383.22
IUPAC Name[(2Z)-2-[[2-[ethyl-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]carbamoyl]phenyl]hydrazinylidene]ethylidene]azanium
SMILESCCN(CCc1ncc(C(C)(C)O)cn1)C(=O)c1ccccc1N/N=C\C=[NH2+]
InChIInChI=1S/C20H26N6O2/c1-4-26(12-9-18-22-13-15(14-23-18)20(2,3)28)19(27)16-7-5-6-8-17(16)25-24-11-10-21/h5-8,10-11,13-14,21,25,28H,4,9,12H2,1-3H3/p+1/b21-10?,24-11-
InChIKeyGIAGHFQYJYUDQT-FKHZBJISSA-O
XLogP0.64
TPSA116.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 121413939
N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(tetrazol-2-yl)benzamide
CID 121413980
N-ethyl-2-hydrazinyl-N-propylbenzamide
CID 62243548
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
N,N-diethyl-2-formamidobenzamide
CID 168652158
N-butyl-N-ethyl-2-(methylamino)benzamide
CID 61377458
methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate
CID 121315721
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide
CID 79378834
2-(ethenylamino)-N,N-diethylbenzamide
CID 10932915
N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide
CID 121413896
N-ethyl-N-(2-methoxyethyl)-2-(propylamino)benzamide
CID 55047435
N-ethyl-2-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62242635

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-[[2-[ethyl-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]carbamoyl]phenyl]hydrazinylidene]ethylidene]azanium?
The IUPAC name of [(2Z)-2-[[2-[ethyl-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]carbamoyl]phenyl]hydrazinylidene]ethylidene]azanium (CID 145100115) is [(2Z)-2-[[2-[ethyl-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]carbamoyl]phenyl]hydrazinylidene]ethylidene]azanium.
What is the SMILES notation for [(2Z)-2-[[2-[ethyl-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]carbamoyl]phenyl]hydrazinylidene]ethylidene]azanium?
The canonical SMILES for [(2Z)-2-[[2-[ethyl-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]carbamoyl]phenyl]hydrazinylidene]ethylidene]azanium is CCN(CCc1ncc(C(C)(C)O)cn1)C(=O)c1ccccc1N/N=C\C=[NH2+].
What is the InChIKey of [(2Z)-2-[[2-[ethyl-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]carbamoyl]phenyl]hydrazinylidene]ethylidene]azanium?
The InChIKey is GIAGHFQYJYUDQT-FKHZBJISSA-O. The full InChI is InChI=1S/C20H26N6O2/c1-4-26(12-9-18-22-13-15(14-23-18)20(2,3)28)19(27)16-7-5-6-8-17(16)25-24-11-10-21/h5-8,10-11,13-14,21,25,28H,4,9,12H2,1-3H3/p+1/b21-10?,24-11-.
What are the key properties of [(2Z)-2-[[2-[ethyl-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]carbamoyl]phenyl]hydrazinylidene]ethylidene]azanium?
[(2Z)-2-[[2-[ethyl-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]carbamoyl]phenyl]hydrazinylidene]ethylidene]azanium has a molecular weight of 383.48 g/mol, XLogP of 0.64, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-[[2-[ethyl-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]carbamoyl]phenyl]hydrazinylidene]ethylidene]azanium is sourced from PubChem (CID 145100115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).