4-methoxy-2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrimidine

C16H24N2O3 — CID 144515495

IUPAC4-methoxy-2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrimidine
SMILESC=CC(CC/C=C(/C)COCc1nccc(OC)n1)OC
InChIInChI=1S/C16H24N2O3/c1-5-14(19-3)8-6-7-13(2)11-21-12-15-17-10-9-16(18-15)20-4/h5,7,9-10,14H,1,6,8,11-12H2,2-4H3/b13-7-
InChIKeyZKNDVLQPFDGKBB-QPEQYQDCSA-N
MW292.38 g/mol
LogP2.93
Rot. Bonds10

About 4-methoxy-2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrimidine

4-methoxy-2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrimidine (PubChem CID 144515495) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-methoxy-2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrimidine
PubChem CID144515495
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-methoxy-2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrimidine
SMILESC=CC(CC/C=C(/C)COCc1nccc(OC)n1)OC
InChIInChI=1S/C16H24N2O3/c1-5-14(19-3)8-6-7-13(2)11-21-12-15-17-10-9-16(18-15)20-4/h5,7,9-10,14H,1,6,8,11-12H2,2-4H3/b13-7-
InChIKeyZKNDVLQPFDGKBB-QPEQYQDCSA-N
XLogP2.93
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrimidine?
The IUPAC name of 4-methoxy-2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrimidine (CID 144515495) is 4-methoxy-2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrimidine is C=CC(CC/C=C(/C)COCc1nccc(OC)n1)OC.
What is the InChIKey of 4-methoxy-2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrimidine?
The InChIKey is ZKNDVLQPFDGKBB-QPEQYQDCSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-14(19-3)8-6-7-13(2)11-21-12-15-17-10-9-16(18-15)20-4/h5,7,9-10,14H,1,6,8,11-12H2,2-4H3/b13-7-.
What are the key properties of 4-methoxy-2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrimidine?
4-methoxy-2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrimidine has a molecular weight of 292.38 g/mol, XLogP of 2.93, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]methyl]pyrimidine is sourced from PubChem (CID 144515495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).