(1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine

C18H26N6 — CID 143464867

IUPAC(1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine
SMILESC=C/C(=C\N(C)C)C1=CCN=C2/C(=N/C3CCNCC3)NC=CN12
InChIInChI=1S/C18H26N6/c1-4-14(13-23(2)3)16-7-10-21-18-17(20-11-12-24(16)18)22-15-5-8-19-9-6-15/h4,7,11-13,15,19H,1,5-6,8-10H2,2-3H3,(H,20,22)/b14-13+
InChIKeyCNOZSDDRBOESIH-BUHFOSPRSA-N
MW326.45 g/mol
LogP1.44
Rot. Bonds4

About (1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine

(1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine (PubChem CID 143464867) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is (1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine
PubChem CID143464867
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name(1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine
SMILESC=C/C(=C\N(C)C)C1=CCN=C2/C(=N/C3CCNCC3)NC=CN12
InChIInChI=1S/C18H26N6/c1-4-14(13-23(2)3)16-7-10-21-18-17(20-11-12-24(16)18)22-15-5-8-19-9-6-15/h4,7,11-13,15,19H,1,5-6,8-10H2,2-3H3,(H,20,22)/b14-13+
InChIKeyCNOZSDDRBOESIH-BUHFOSPRSA-N
XLogP1.44
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine
CID 88929691
2-(3-piperidin-1-ylpropyl)-3a,4,7,8-tetrahydro-1H-perimidine
CID 89636817
6-[4-(aminodiazenyl)-2-ethyl-1,2-dihydropyridin-6-yl]-2-(1,4-dihydropyrimidin-2-yl)-5-methyl-5,7,8,8a-tetrahydro-3H-pyrido[4,3-d]pyrimidine
CID 122681089
7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine
CID 123324389
1-N-methyl-1-N-[7-(4-piperidin-1-ylcyclohepta-1,3-dien-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-5-yl]butane-1,3-diamine
CID 132039074
1-cyclobutyl-N-[[3-(2,6-dimethylidenepiperidin-3-yl)-2-methyl-4-methylidene-5,6-dihydroquinazolin-5-yl]methyl]ethenamine
CID 132064841
N-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine
CID 137229971
N-ethenyl-6-ethyl-4-[(E)-2,3,3-trimethyl-1-[2-methylidene-3-(4-methylidenepiperidin-1-yl)pyrazin-1-yl]but-1-enyl]cyclohexa-1,5-dien-1-amine
CID 139506711
(1E,3Z,7Z)-7-(1-cyclopentyl-5-ethenyl-2-prop-1-en-2-yliminopyrrol-3-ylidene)-2-piperazin-1-ylhepta-1,3-dien-1-amine
CID 139516116
N-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine
CID 141355599
(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine
CID 142345339
(Z)-2-[4-cyclobutylidene-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-2-yl]-3-iminoprop-1-en-1-amine
CID 142511242

Frequently Asked Questions

What is the IUPAC name of (1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine?
The IUPAC name of (1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine (CID 143464867) is (1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine is C=C/C(=C\N(C)C)C1=CCN=C2/C(=N/C3CCNCC3)NC=CN12.
What is the InChIKey of (1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine?
The InChIKey is CNOZSDDRBOESIH-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H26N6/c1-4-14(13-23(2)3)16-7-10-21-18-17(20-11-12-24(16)18)22-15-5-8-19-9-6-15/h4,7,11-13,15,19H,1,5-6,8-10H2,2-3H3,(H,20,22)/b14-13+.
What are the key properties of (1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine?
(1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine has a molecular weight of 326.45 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine is sourced from PubChem (CID 143464867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).