(E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine

C25H35N7 — CID 143436173

IUPAC(E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine
SMILESC=C/C=C(\C=C/C)/C=C/c1nc(/N=C2\CCC(C3CC3)NN2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C25H35N7/c1-4-6-19(7-5-2)8-12-22-26-24(18-25(28-22)32-16-14-31(3)15-17-32)27-23-13-11-21(29-30-23)20-9-10-20/h4-8,12,18,20-21,29H,1,9-11,13-17H2,2-3H3,(H,26,27,28,30)/b7-5-,12-8+,19-6+
InChIKeyUUBHFSGGCKECTB-AFYPOWFYSA-N
MW433.60 g/mol
LogP3.63
Rot. Bonds7

About (E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine

(E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine (PubChem CID 143436173) has the molecular formula C25H35N7 and a molecular weight of 433.60 g/mol. Its IUPAC name is (E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine.

Molecular Properties

Compound Name(E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine
PubChem CID143436173
Molecular FormulaC25H35N7
Molecular Weight433.60 g/mol
Exact Mass433.30
IUPAC Name(E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine
SMILESC=C/C=C(\C=C/C)/C=C/c1nc(/N=C2\CCC(C3CC3)NN2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C25H35N7/c1-4-6-19(7-5-2)8-12-22-26-24(18-25(28-22)32-16-14-31(3)15-17-32)27-23-13-11-21(29-30-23)20-9-10-20/h4-8,12,18,20-21,29H,1,9-11,13-17H2,2-3H3,(H,26,27,28,30)/b7-5-,12-8+,19-6+
InChIKeyUUBHFSGGCKECTB-AFYPOWFYSA-N
XLogP3.63
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine 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

3-methyl-N-[6-(4-methylpiperazin-1-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-yl]-1,4-dihydropyrazol-5-imine
CID 137146950
5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine
CID 137031060
(E)-5-methyl-N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethynyl)pyrimidin-4-yl]pyrazolidin-3-imine
CID 136968599
4-[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 56868687
5-fluoro-4-morpholin-4-yl-N-[(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]amino]pyrimidin-2-amine
CID 143470922
2-(1-cyclohexylpropan-2-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylimidazole
CID 169211181
(E)-6-methyl-N-[2-[(E)-2-phenylethenyl]-6-thiomorpholin-4-ylpyrimidin-4-yl]-2,4-dihydro-1H-pyridazin-3-imine
CID 143436239
3,5-dimethyl-1-[4-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]phenyl]piperidine
CID 126547643
propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
7-[(1Z,3E)-3-[(Z)-prop-1-enyl]-1-sulfanylhexa-1,3,5-trienyl]-1H-indazole-5-carboxylic acid
CID 143557263
N-[(3E)-2-chloro-4-methylhexa-1,3,5-trien-3-yl]-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 171507660
N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine
CID 90754084

Frequently Asked Questions

What is the IUPAC name of (E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine?
The IUPAC name of (E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine (CID 143436173) is (E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine.
What is the SMILES notation for (E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine?
The canonical SMILES for (E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine is C=C/C=C(\C=C/C)/C=C/c1nc(/N=C2\CCC(C3CC3)NN2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of (E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine?
The InChIKey is UUBHFSGGCKECTB-AFYPOWFYSA-N. The full InChI is InChI=1S/C25H35N7/c1-4-6-19(7-5-2)8-12-22-26-24(18-25(28-22)32-16-14-31(3)15-17-32)27-23-13-11-21(29-30-23)20-9-10-20/h4-8,12,18,20-21,29H,1,9-11,13-17H2,2-3H3,(H,26,27,28,30)/b7-5-,12-8+,19-6+.
What are the key properties of (E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine?
(E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine has a molecular weight of 433.60 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine is sourced from PubChem (CID 143436173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).