N-[(1Z)-2-methylbuta-1,3-dienyl]-1-(4-methylphenyl)ethanimine;5-methyl-2-(5-methyl-2-pyridinyl)pyrimidine;5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine

C36H39N7 — CID 144588550

IUPACN-[(1Z)-2-methylbuta-1,3-dienyl]-1-(4-methylphenyl)ethanimine;5-methyl-2-(5-methyl-2-pyridinyl)pyrimidine;5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine
SMILESC=C/C(C)=C\N=C(/C)c1ccc(C)cc1.Cc1ccc(-c2ncc(C)cn2)nc1.Cc1cnc(-c2ccc(C)nc2)nc1
InChIInChI=1S/C14H17N.2C11H11N3/c1-5-11(2)10-15-13(4)14-8-6-12(3)7-9-14;1-8-5-13-11(14-6-8)10-4-3-9(2)12-7-10;1-8-3-4-10(12-5-8)11-13-6-9(2)7-14-11/h5-10H,1H2,2-4H3;2*3-7H,1-2H3/b11-10-,15-13+;;
InChIKeyAQPMFJSJMHLGLG-GPQFIQDGSA-N
MW569.76 g/mol
LogP8.20
Rot. Bonds5

About N-[(1Z)-2-methylbuta-1,3-dienyl]-1-(4-methylphenyl)ethanimine;5-methyl-2-(5-methyl-2-pyridinyl)pyrimidine;5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine

N-[(1Z)-2-methylbuta-1,3-dienyl]-1-(4-methylphenyl)ethanimine;5-methyl-2-(5-methyl-2-pyridinyl)pyrimidine;5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine (PubChem CID 144588550) has the molecular formula C36H39N7 and a molecular weight of 569.76 g/mol. Its IUPAC name is N-[(1Z)-2-methylbuta-1,3-dienyl]-1-(4-methylphenyl)ethanimine;5-methyl-2-(5-methyl-2-pyridinyl)pyrimidine;5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound NameN-[(1Z)-2-methylbuta-1,3-dienyl]-1-(4-methylphenyl)ethanimine;5-methyl-2-(5-methyl-2-pyridinyl)pyrimidine;5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine
PubChem CID144588550
Molecular FormulaC36H39N7
Molecular Weight569.76 g/mol
Exact Mass569.33
IUPAC NameN-[(1Z)-2-methylbuta-1,3-dienyl]-1-(4-methylphenyl)ethanimine;5-methyl-2-(5-methyl-2-pyridinyl)pyrimidine;5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine
SMILESC=C/C(C)=C\N=C(/C)c1ccc(C)cc1.Cc1ccc(-c2ncc(C)cn2)nc1.Cc1cnc(-c2ccc(C)nc2)nc1
InChIInChI=1S/C14H17N.2C11H11N3/c1-5-11(2)10-15-13(4)14-8-6-12(3)7-9-14;1-8-5-13-11(14-6-8)10-4-3-9(2)12-7-10;1-8-3-4-10(12-5-8)11-13-6-9(2)7-14-11/h5-10H,1H2,2-4H3;2*3-7H,1-2H3/b11-10-,15-13+;;
InChIKeyAQPMFJSJMHLGLG-GPQFIQDGSA-N
XLogP8.20
TPSA89.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.76
LogP ≤ 58.20
H-Bond Donors ≤ 50
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

2,4-bis(4-methylphenyl)-6-(5-methyl-2-pyridinyl)pyridine;2,4-bis(4-methylphenyl)-6-(6-methyl-3-pyridinyl)pyridine;2,6-bis(4-methylphenyl)-4-(5-methyl-2-pyridinyl)pyridine;5-methyl-2-[2-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)-4-pyridinyl]pyrimidine;5-methyl-2-[4-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)-2-pyridinyl]pyrimidine
CID 160654606
2-methyl-5-(4-prop-1-en-2-ylphenyl)pyridine
CID 123543700
2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine
CID 58261715
2-[2,3-difluoro-4-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine
CID 20663203
2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine
CID 90064783
5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine
CID 118348376
3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine
CID 118345270
3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine
CID 118345276
2-(5-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid
CID 71743310
2,5,9-trimethylazecine
CID 144887910
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 45100248
CID 161195002
CID 161195002

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-2-methylbuta-1,3-dienyl]-1-(4-methylphenyl)ethanimine;5-methyl-2-(5-methyl-2-pyridinyl)pyrimidine;5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine?
The IUPAC name of N-[(1Z)-2-methylbuta-1,3-dienyl]-1-(4-methylphenyl)ethanimine;5-methyl-2-(5-methyl-2-pyridinyl)pyrimidine;5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine (CID 144588550) is N-[(1Z)-2-methylbuta-1,3-dienyl]-1-(4-methylphenyl)ethanimine;5-methyl-2-(5-methyl-2-pyridinyl)pyrimidine;5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine.
What is the SMILES notation for N-[(1Z)-2-methylbuta-1,3-dienyl]-1-(4-methylphenyl)ethanimine;5-methyl-2-(5-methyl-2-pyridinyl)pyrimidine;5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine?
The canonical SMILES for N-[(1Z)-2-methylbuta-1,3-dienyl]-1-(4-methylphenyl)ethanimine;5-methyl-2-(5-methyl-2-pyridinyl)pyrimidine;5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine is C=C/C(C)=C\N=C(/C)c1ccc(C)cc1.Cc1ccc(-c2ncc(C)cn2)nc1.Cc1cnc(-c2ccc(C)nc2)nc1.
What is the InChIKey of N-[(1Z)-2-methylbuta-1,3-dienyl]-1-(4-methylphenyl)ethanimine;5-methyl-2-(5-methyl-2-pyridinyl)pyrimidine;5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine?
The InChIKey is AQPMFJSJMHLGLG-GPQFIQDGSA-N. The full InChI is InChI=1S/C14H17N.2C11H11N3/c1-5-11(2)10-15-13(4)14-8-6-12(3)7-9-14;1-8-5-13-11(14-6-8)10-4-3-9(2)12-7-10;1-8-3-4-10(12-5-8)11-13-6-9(2)7-14-11/h5-10H,1H2,2-4H3;2*3-7H,1-2H3/b11-10-,15-13+;;.
What are the key properties of N-[(1Z)-2-methylbuta-1,3-dienyl]-1-(4-methylphenyl)ethanimine;5-methyl-2-(5-methyl-2-pyridinyl)pyrimidine;5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine?
N-[(1Z)-2-methylbuta-1,3-dienyl]-1-(4-methylphenyl)ethanimine;5-methyl-2-(5-methyl-2-pyridinyl)pyrimidine;5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine has a molecular weight of 569.76 g/mol, XLogP of 8.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2-methylbuta-1,3-dienyl]-1-(4-methylphenyl)ethanimine;5-methyl-2-(5-methyl-2-pyridinyl)pyrimidine;5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 144588550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).