1-[(1Z,3Z)-hexa-1,3-dienyl]-4-morpholin-4-yl-6-oxopyrimidine-5-carbaldehyde

C15H19N3O3 — CID 142887755

IUPAC1-[(1Z,3Z)-hexa-1,3-dienyl]-4-morpholin-4-yl-6-oxopyrimidine-5-carbaldehyde
SMILESCC/C=C\C=C/n1cnc(N2CCOCC2)c(C=O)c1=O
InChIInChI=1S/C15H19N3O3/c1-2-3-4-5-6-18-12-16-14(13(11-19)15(18)20)17-7-9-21-10-8-17/h3-6,11-12H,2,7-10H2,1H3/b4-3-,6-5-
InChIKeyHIYYXJLFYMDFSS-OUPQRBNQSA-N
MW289.34 g/mol
LogP1.33
Rot. Bonds5

About 1-[(1Z,3Z)-hexa-1,3-dienyl]-4-morpholin-4-yl-6-oxopyrimidine-5-carbaldehyde

1-[(1Z,3Z)-hexa-1,3-dienyl]-4-morpholin-4-yl-6-oxopyrimidine-5-carbaldehyde (PubChem CID 142887755) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[(1Z,3Z)-hexa-1,3-dienyl]-4-morpholin-4-yl-6-oxopyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name1-[(1Z,3Z)-hexa-1,3-dienyl]-4-morpholin-4-yl-6-oxopyrimidine-5-carbaldehyde
PubChem CID142887755
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-[(1Z,3Z)-hexa-1,3-dienyl]-4-morpholin-4-yl-6-oxopyrimidine-5-carbaldehyde
SMILESCC/C=C\C=C/n1cnc(N2CCOCC2)c(C=O)c1=O
InChIInChI=1S/C15H19N3O3/c1-2-3-4-5-6-18-12-16-14(13(11-19)15(18)20)17-7-9-21-10-8-17/h3-6,11-12H,2,7-10H2,1H3/b4-3-,6-5-
InChIKeyHIYYXJLFYMDFSS-OUPQRBNQSA-N
XLogP1.33
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 818578
2-ethylsulfanyl-4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
CID 100514983
N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine
CID 105388738
methyl 2-[(3-formyl-2-morpholin-4-yl-4-pyridinyl)sulfanyl]benzoate
CID 129079003
2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde
CID 28905472
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde
CID 174667460
2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114394647
N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 80823280
5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile
CID 2772193
5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde
CID 96628098
(2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 76968009

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z,3Z)-hexa-1,3-dienyl]-4-morpholin-4-yl-6-oxopyrimidine-5-carbaldehyde?
The IUPAC name of 1-[(1Z,3Z)-hexa-1,3-dienyl]-4-morpholin-4-yl-6-oxopyrimidine-5-carbaldehyde (CID 142887755) is 1-[(1Z,3Z)-hexa-1,3-dienyl]-4-morpholin-4-yl-6-oxopyrimidine-5-carbaldehyde.
What is the SMILES notation for 1-[(1Z,3Z)-hexa-1,3-dienyl]-4-morpholin-4-yl-6-oxopyrimidine-5-carbaldehyde?
The canonical SMILES for 1-[(1Z,3Z)-hexa-1,3-dienyl]-4-morpholin-4-yl-6-oxopyrimidine-5-carbaldehyde is CC/C=C\C=C/n1cnc(N2CCOCC2)c(C=O)c1=O.
What is the InChIKey of 1-[(1Z,3Z)-hexa-1,3-dienyl]-4-morpholin-4-yl-6-oxopyrimidine-5-carbaldehyde?
The InChIKey is HIYYXJLFYMDFSS-OUPQRBNQSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-3-4-5-6-18-12-16-14(13(11-19)15(18)20)17-7-9-21-10-8-17/h3-6,11-12H,2,7-10H2,1H3/b4-3-,6-5-.
What are the key properties of 1-[(1Z,3Z)-hexa-1,3-dienyl]-4-morpholin-4-yl-6-oxopyrimidine-5-carbaldehyde?
1-[(1Z,3Z)-hexa-1,3-dienyl]-4-morpholin-4-yl-6-oxopyrimidine-5-carbaldehyde has a molecular weight of 289.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z,3Z)-hexa-1,3-dienyl]-4-morpholin-4-yl-6-oxopyrimidine-5-carbaldehyde is sourced from PubChem (CID 142887755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).