6-[(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-N-[(6-methylpyridazin-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine

C20H21N7 — CID 167192195

IUPAC6-[(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-N-[(6-methylpyridazin-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESC=N/C(=C\C=C(C)C)c1cnc2ncnc(NCc3ccc(C)nn3)c2c1
InChIInChI=1S/C20H21N7/c1-13(2)5-8-18(21-4)15-9-17-19(22-10-15)24-12-25-20(17)23-11-16-7-6-14(3)26-27-16/h5-10,12H,4,11H2,1-3H3,(H,22,23,24,25)/b18-8-
InChIKeyHTEBGLCUHVRYSL-LSCVHKIXSA-N
MW359.44 g/mol
LogP3.74
Rot. Bonds6

About 6-[(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-N-[(6-methylpyridazin-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine

6-[(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-N-[(6-methylpyridazin-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 167192195) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is 6-[(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-N-[(6-methylpyridazin-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-N-[(6-methylpyridazin-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID167192195
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name6-[(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-N-[(6-methylpyridazin-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESC=N/C(=C\C=C(C)C)c1cnc2ncnc(NCc3ccc(C)nn3)c2c1
InChIInChI=1S/C20H21N7/c1-13(2)5-8-18(21-4)15-9-17-19(22-10-15)24-12-25-20(17)23-11-16-7-6-14(3)26-27-16/h5-10,12H,4,11H2,1-3H3,(H,22,23,24,25)/b18-8-
InChIKeyHTEBGLCUHVRYSL-LSCVHKIXSA-N
XLogP3.74
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 167192192
6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-ol
CID 155339950
2-[4-[(6-methylpyridazin-3-yl)methylamino]-6-(5-methylpyrimidin-2-yl)quinazolin-8-yl]oxyacetic acid;dihydrochloride
CID 155728635
8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
CID 155728177
7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine
CID 169099885
N-[(6-methylpyridazin-3-yl)methyl]acetamide
CID 110737862
8-methoxy-N-[(6-methylpyridazin-3-yl)methyl]-6-(5-methylsulfonyl-2-pyridinyl)quinazolin-4-amine
CID 155340210
6-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 155339420
6-(4-fluorophenyl)-8-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
CID 155339893
3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide
CID 110737899
N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118317173
[4-[[6-(4-fluorophenyl)-4-[(6-methylpyridazin-3-yl)methylamino]quinazolin-8-yl]oxymethyl]piperidin-1-yl]-methoxymethanol
CID 167090414

Frequently Asked Questions

What is the IUPAC name of 6-[(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-N-[(6-methylpyridazin-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-N-[(6-methylpyridazin-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine (CID 167192195) is 6-[(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-N-[(6-methylpyridazin-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-N-[(6-methylpyridazin-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-N-[(6-methylpyridazin-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine is C=N/C(=C\C=C(C)C)c1cnc2ncnc(NCc3ccc(C)nn3)c2c1.
What is the InChIKey of 6-[(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-N-[(6-methylpyridazin-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is HTEBGLCUHVRYSL-LSCVHKIXSA-N. The full InChI is InChI=1S/C20H21N7/c1-13(2)5-8-18(21-4)15-9-17-19(22-10-15)24-12-25-20(17)23-11-16-7-6-14(3)26-27-16/h5-10,12H,4,11H2,1-3H3,(H,22,23,24,25)/b18-8-.
What are the key properties of 6-[(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-N-[(6-methylpyridazin-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine?
6-[(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-N-[(6-methylpyridazin-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 359.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1Z)-4-methyl-1-(methylideneamino)penta-1,3-dienyl]-N-[(6-methylpyridazin-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167192195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).