N-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine

C11H13N3 — CID 129029658

IUPACN-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C/C)c1ncncc1C
InChIInChI=1S/C11H13N3/c1-4-10(5-6-12-3)11-9(2)7-13-8-14-11/h4-8H,3H2,1-2H3/b6-5-,10-4+
InChIKeyWJLXBCOXZJJBKH-QYONPMAVSA-N
MW187.25 g/mol
LogP2.40
Rot. Bonds3

About N-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine

N-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine (PubChem CID 129029658) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine
PubChem CID129029658
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C/C)c1ncncc1C
InChIInChI=1S/C11H13N3/c1-4-10(5-6-12-3)11-9(2)7-13-8-14-11/h4-8H,3H2,1-2H3/b6-5-,10-4+
InChIKeyWJLXBCOXZJJBKH-QYONPMAVSA-N
XLogP2.40
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z,3E)-3-(5-methylpyrimidin-2-yl)penta-1,3-dienyl]methanimine
CID 134395107
N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine
CID 90434181
N-[(1E,3Z)-2-pyrimidin-5-ylpenta-1,3-dienyl]methanimine
CID 129174777
N-(5-methylpyrimidin-4-yl)ethanimine
CID 89493082
N-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine
CID 155030531
N-[(1Z,3E)-3-[3-[6-(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]penta-1,3-dienyl]methanimine
CID 126611550
3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine
CID 130349544
4,5-dimethylpyrimidine;hydrochloride
CID 126810746
5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine
CID 155204676
4-(disulfanyl)-5-methylpyrimidine
CID 134420830
N-ethenyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 167104726
1-(5-methylpyrimidin-4-yl)ethanol
CID 170901013

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine (CID 129029658) is N-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine is C=N/C=C\C(=C/C)c1ncncc1C.
What is the InChIKey of N-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine?
The InChIKey is WJLXBCOXZJJBKH-QYONPMAVSA-N. The full InChI is InChI=1S/C11H13N3/c1-4-10(5-6-12-3)11-9(2)7-13-8-14-11/h4-8H,3H2,1-2H3/b6-5-,10-4+.
What are the key properties of N-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine?
N-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine has a molecular weight of 187.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-3-(5-methylpyrimidin-4-yl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 129029658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).