N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C19H34N6 — CID 143397811

IUPACN-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESC/C=c1/nc(CN2CCNCC2)nc(NCCCN(C)C)/c1=C/CC
InChIInChI=1S/C19H34N6/c1-5-8-16-17(6-2)22-18(15-25-13-10-20-11-14-25)23-19(16)21-9-7-12-24(3)4/h6,8,20H,5,7,9-15H2,1-4H3,(H,21,22,23)/b16-8+,17-6+
InChIKeyQCOOLBHMJPDJAX-MQFPMNFKSA-N
MW346.52 g/mol
LogP0.24
Rot. Bonds8

About N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 143397811) has the molecular formula C19H34N6 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID143397811
Molecular FormulaC19H34N6
Molecular Weight346.52 g/mol
Exact Mass346.28
IUPAC NameN-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESC/C=c1/nc(CN2CCNCC2)nc(NCCCN(C)C)/c1=C/CC
InChIInChI=1S/C19H34N6/c1-5-8-16-17(6-2)22-18(15-25-13-10-20-11-14-25)23-19(16)21-9-7-12-24(3)4/h6,8,20H,5,7,9-15H2,1-4H3,(H,21,22,23)/b16-8+,17-6+
InChIKeyQCOOLBHMJPDJAX-MQFPMNFKSA-N
XLogP0.24
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine 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

(4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine
CID 71156008
(3Z,5Z)-N-[(2E,4E,6E)-7-fluoro-4,8-dimethyl-2-[(6E)-5-methylidene-6-[(E)-2-(6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidin-2-yl)but-2-enylidene]-2-pyridinyl]nona-2,4,6,8-tetraen-3-yl]hepta-3,5-dien-2-imine
CID 156403874
1-(4-Methyl-5,6-dimethylidene-2-pyridinyl)piperazine
CID 123234443
1-[3,4-Dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine
CID 126720096
N-[3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]propyl]-5,6-dihydro-3H-isoindol-1-amine
CID 141911172
(3E)-5-[4-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-5-methyliminopenta-1,3-dien-3-amine
CID 142085184
(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine
CID 142345339
N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine
CID 143096898
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
(Z)-1-N'-[6-[4-(1,2-dihydropyridin-4-yl)piperazin-1-yl]-2-[(1E,3E,5Z)-3-ethenylhepta-1,3,5-trienyl]-3-methyl-2H-pyrimidin-4-yl]-1-N-methylbut-2-ene-1,1,3-triamine
CID 144004911
ethane;(Z)-1-[6-ethyl-4-(piperazin-1-ylmethyl)-2H-pyridin-1-yl]-N-(methylideneamino)ethanimine
CID 144492309
ethane;1-methyl-4-[(3E,5Z)-5-methylocta-3,5-dien-3-yl]piperazine;N'-methylpropanimidamide
CID 144572100

Frequently Asked Questions

What is the IUPAC name of N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 143397811) is N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is C/C=c1/nc(CN2CCNCC2)nc(NCCCN(C)C)/c1=C/CC.
What is the InChIKey of N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is QCOOLBHMJPDJAX-MQFPMNFKSA-N. The full InChI is InChI=1S/C19H34N6/c1-5-8-16-17(6-2)22-18(15-25-13-10-20-11-14-25)23-19(16)21-9-7-12-24(3)4/h6,8,20H,5,7,9-15H2,1-4H3,(H,21,22,23)/b16-8+,17-6+.
What are the key properties of N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 346.52 g/mol, XLogP of 0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E,6E)-6-ethylidene-2-(piperazin-1-ylmethyl)-5-propylidenepyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 143397811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).