2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C26H34N6O2 — CID 154774464

IUPAC2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)c1ccc(C=C2CCC(C=NNc3nc(C)cc(=O)[nH]3)=C2N2CCOCC2)cc1
InChIInChI=1S/C26H34N6O2/c1-4-31(5-2)23-10-6-20(7-11-23)17-21-8-9-22(25(21)32-12-14-34-15-13-32)18-27-30-26-28-19(3)16-24(33)29-26/h6-7,10-11,16-18H,4-5,8-9,12-15H2,1-3H3,(H2,28,29,30,33)
InChIKeyUJCNREBLXLZLBU-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.79
Rot. Bonds8

About 2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 154774464) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID154774464
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)c1ccc(C=C2CCC(C=NNc3nc(C)cc(=O)[nH]3)=C2N2CCOCC2)cc1
InChIInChI=1S/C26H34N6O2/c1-4-31(5-2)23-10-6-20(7-11-23)17-21-8-9-22(25(21)32-12-14-34-15-13-32)18-27-30-26-28-19(3)16-24(33)29-26/h6-7,10-11,16-18H,4-5,8-9,12-15H2,1-3H3,(H2,28,29,30,33)
InChIKeyUJCNREBLXLZLBU-UHFFFAOYSA-N
XLogP3.79
TPSA85.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hzone_enamin(30)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]aniline
CID 42917264
N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline
CID 3725515
N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine
CID 23876396
N-[(E)-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 6905178
3-[(2Z)-2-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135820831
N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(Z)-[(E)-pyridin-3-ylmethylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline
CID 92954270
N,N-diethyl-4-[[2-morpholin-4-yl-3-[[[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline
CID 4194976
N,N-diethyl-4-[(E)-[2-morpholin-4-yl-3-[(E)-[(E)-(2-morpholin-4-yl-3-phenylcyclopenten-1-yl)methylidenehydrazinylidene]methyl]cyclopent-2-en-1-ylidene]methyl]aniline
CID 167968917
(3Z)-3-[[4-(diethylamino)phenyl]methylidene]-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide
CID 75408561
3-[[4-(diethylamino)phenyl]methylidene]-N-di(piperidin-1-yl)phosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide
CID 3406499
2-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135691059
1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea
CID 129432047

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 154774464) is 2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is CCN(CC)c1ccc(C=C2CCC(C=NNc3nc(C)cc(=O)[nH]3)=C2N2CCOCC2)cc1.
What is the InChIKey of 2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is UJCNREBLXLZLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-4-31(5-2)23-10-6-20(7-11-23)17-21-8-9-22(25(21)32-12-14-34-15-13-32)18-27-30-26-28-19(3)16-24(33)29-26/h6-7,10-11,16-18H,4-5,8-9,12-15H2,1-3H3,(H2,28,29,30,33).
What are the key properties of 2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 462.60 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 154774464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).