N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane

C22H42N6 — CID 143396961

IUPACN,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane
SMILESCC.CC/C=C\C=C1C(=N\CCCN(C)C)\NC(CN2CCNCC2)=NC\1C
InChIInChI=1S/C20H36N6.C2H6/c1-5-6-7-9-18-17(2)23-19(16-26-14-11-21-12-15-26)24-20(18)22-10-8-13-25(3)4;1-2/h6-7,9,17,21H,5,8,10-16H2,1-4H3,(H,22,23,24);1-2H3/b7-6-,18-9+;
InChIKeyLIHBHAPOQVKPPR-ZYMLDXQSSA-N
MW390.62 g/mol
LogP2.55
Rot. Bonds8

About N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane

N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane (PubChem CID 143396961) has the molecular formula C22H42N6 and a molecular weight of 390.62 g/mol. Its IUPAC name is N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane
PubChem CID143396961
Molecular FormulaC22H42N6
Molecular Weight390.62 g/mol
Exact Mass390.35
IUPAC NameN,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane
SMILESCC.CC/C=C\C=C1C(=N\CCCN(C)C)\NC(CN2CCNCC2)=NC\1C
InChIInChI=1S/C20H36N6.C2H6/c1-5-6-7-9-18-17(2)23-19(16-26-14-11-21-12-15-26)24-20(18)22-10-8-13-25(3)4;1-2/h6-7,9,17,21H,5,8,10-16H2,1-4H3,(H,22,23,24);1-2H3/b7-6-,18-9+;
InChIKeyLIHBHAPOQVKPPR-ZYMLDXQSSA-N
XLogP2.55
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.62
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-5,6-dimethyl-1,2-dihydropyridin-2-yl]-2-(4,4-dimethylpiperazin-4-ium-1-yl)-2-iminoethanamine
CID 126627493
2-[[(3E,5Z)-2-(diethylamino)-3-ethenylhepta-3,5-dienyl]amino]-N-ethyl-N'-[(Z)-hex-3-enyl]ethanimidamide
CID 134270272
N-[3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]propyl]-5,6-dihydro-3H-isoindol-1-amine
CID 141911172
(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine
CID 142345339
ethane;1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine;2-(3-ethylpiperazin-1-yl)-6-methyl-3H-azepine
CID 142941168
N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine
CID 143096898
(2E,4Z)-N'-[2-[4-[(3Z,5Z)-1-(4-chlorocyclohepta-1,3,5-trien-1-yl)-5-methylocta-3,5-dienyl]piperazin-1-yl]ethyl]-2-[1-(methylamino)ethyl]-N-[(Z)-5-methyliminopent-3-enyl]hexa-2,4-dienimidamide;ethane
CID 143397425
N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 143397811
(2Z)-N',2-dimethyl-N-piperidin-3-ylpenta-2,4-dienimidamide;ethane;ethene;2-methylbuta-1,3-diene
CID 144518191
(2E)-2-buta-1,3-dien-2-yl-N-methyl-1-piperazin-1-ylpenta-2,4-dien-1-imine
CID 145101583
(3E)-N-[(Z)-but-2-enyl]-4-methyl-3-[1-[(2S)-2-methylpiperazin-1-yl]ethylidene]-1H-pyrrol-2-imine;ethane;molecular hydrogen
CID 168184334
(2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine
CID 142511433

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane?
The IUPAC name of N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane (CID 143396961) is N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane.
What is the SMILES notation for N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane?
The canonical SMILES for N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane is CC.CC/C=C\C=C1C(=N\CCCN(C)C)\NC(CN2CCNCC2)=NC\1C.
What is the InChIKey of N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane?
The InChIKey is LIHBHAPOQVKPPR-ZYMLDXQSSA-N. The full InChI is InChI=1S/C20H36N6.C2H6/c1-5-6-7-9-18-17(2)23-19(16-26-14-11-21-12-15-26)24-20(18)22-10-8-13-25(3)4;1-2/h6-7,9,17,21H,5,8,10-16H2,1-4H3,(H,22,23,24);1-2H3/b7-6-,18-9+;.
What are the key properties of N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane?
N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane has a molecular weight of 390.62 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane is sourced from PubChem (CID 143396961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).