1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine

C15H22N2 — CID 144745981

IUPAC1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine
SMILESC/C=C\C(=C/C=C/CC)C1=CN(C)C(C)N=C1
InChIInChI=1S/C15H22N2/c1-5-7-8-10-14(9-6-2)15-11-16-13(3)17(4)12-15/h6-13H,5H2,1-4H3/b8-7+,9-6-,14-10+
InChIKeyBYHHLOUWEDYISG-VSDLJYMVSA-N
MW230.35 g/mol
LogP3.70
Rot. Bonds4

About 1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine

1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine (PubChem CID 144745981) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine.

Molecular Properties

Compound Name1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine
PubChem CID144745981
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine
SMILESC/C=C\C(=C/C=C/CC)C1=CN(C)C(C)N=C1
InChIInChI=1S/C15H22N2/c1-5-7-8-10-14(9-6-2)15-11-16-13(3)17(4)12-15/h6-13H,5H2,1-4H3/b8-7+,9-6-,14-10+
InChIKeyBYHHLOUWEDYISG-VSDLJYMVSA-N
XLogP3.70
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.70
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 1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine?
The IUPAC name of 1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine (CID 144745981) is 1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine.
What is the SMILES notation for 1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine?
The canonical SMILES for 1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine is C/C=C\C(=C/C=C/CC)C1=CN(C)C(C)N=C1.
What is the InChIKey of 1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine?
The InChIKey is BYHHLOUWEDYISG-VSDLJYMVSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-7-8-10-14(9-6-2)15-11-16-13(3)17(4)12-15/h6-13H,5H2,1-4H3/b8-7+,9-6-,14-10+.
What are the key properties of 1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine?
1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine has a molecular weight of 230.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-2H-pyrimidine is sourced from PubChem (CID 144745981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).