1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine

C20H32N2 — CID 134526418

IUPAC1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine
SMILESCC/C=C(\C=C(\C)CC)C(=CCCC)C1=C(C)CN=CN1C
InChIInChI=1S/C20H32N2/c1-7-10-12-19(18(11-8-2)13-16(4)9-3)20-17(5)14-21-15-22(20)6/h11-13,15H,7-10,14H2,1-6H3/b16-13-,18-11+,19-12?
InChIKeyXUCAFPWVLOKVQJ-JLVVWZAYSA-N
MW300.49 g/mol
LogP5.65
Rot. Bonds7

About 1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine

1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine (PubChem CID 134526418) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine.

Molecular Properties

Compound Name1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine
PubChem CID134526418
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine
SMILESCC/C=C(\C=C(\C)CC)C(=CCCC)C1=C(C)CN=CN1C
InChIInChI=1S/C20H32N2/c1-7-10-12-19(18(11-8-2)13-16(4)9-3)20-17(5)14-21-15-22(20)6/h11-13,15H,7-10,14H2,1-6H3/b16-13-,18-11+,19-12?
InChIKeyXUCAFPWVLOKVQJ-JLVVWZAYSA-N
XLogP5.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine?
The IUPAC name of 1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine (CID 134526418) is 1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine.
What is the SMILES notation for 1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine?
The canonical SMILES for 1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine is CC/C=C(\C=C(\C)CC)C(=CCCC)C1=C(C)CN=CN1C.
What is the InChIKey of 1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine?
The InChIKey is XUCAFPWVLOKVQJ-JLVVWZAYSA-N. The full InChI is InChI=1S/C20H32N2/c1-7-10-12-19(18(11-8-2)13-16(4)9-3)20-17(5)14-21-15-22(20)6/h11-13,15H,7-10,14H2,1-6H3/b16-13-,18-11+,19-12?.
What are the key properties of 1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine?
1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine has a molecular weight of 300.49 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine is sourced from PubChem (CID 134526418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).