(2Z,4E)-5-ethenyl-6-propyl-3-pyrimidin-2-ylnona-2,4-dien-2-amine

C18H27N3 — CID 144956127

IUPAC(2Z,4E)-5-ethenyl-6-propyl-3-pyrimidin-2-ylnona-2,4-dien-2-amine
SMILESC=C/C(=C\C(=C(/C)N)c1ncccn1)C(CCC)CCC
InChIInChI=1S/C18H27N3/c1-5-9-16(10-6-2)15(7-3)13-17(14(4)19)18-20-11-8-12-21-18/h7-8,11-13,16H,3,5-6,9-10,19H2,1-2,4H3/b15-13+,17-14-
InChIKeyVFLAGXUNSOBPCH-FBWUVJDOSA-N
MW285.44 g/mol
LogP4.50
Rot. Bonds8

About (2Z,4E)-5-ethenyl-6-propyl-3-pyrimidin-2-ylnona-2,4-dien-2-amine

(2Z,4E)-5-ethenyl-6-propyl-3-pyrimidin-2-ylnona-2,4-dien-2-amine (PubChem CID 144956127) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is (2Z,4E)-5-ethenyl-6-propyl-3-pyrimidin-2-ylnona-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-5-ethenyl-6-propyl-3-pyrimidin-2-ylnona-2,4-dien-2-amine
PubChem CID144956127
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name(2Z,4E)-5-ethenyl-6-propyl-3-pyrimidin-2-ylnona-2,4-dien-2-amine
SMILESC=C/C(=C\C(=C(/C)N)c1ncccn1)C(CCC)CCC
InChIInChI=1S/C18H27N3/c1-5-9-16(10-6-2)15(7-3)13-17(14(4)19)18-20-11-8-12-21-18/h7-8,11-13,16H,3,5-6,9-10,19H2,1-2,4H3/b15-13+,17-14-
InChIKeyVFLAGXUNSOBPCH-FBWUVJDOSA-N
XLogP4.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-ethenyl-6-propyl-3-pyrimidin-2-ylnona-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-5-ethenyl-6-propyl-3-pyrimidin-2-ylnona-2,4-dien-2-amine (CID 144956127) is (2Z,4E)-5-ethenyl-6-propyl-3-pyrimidin-2-ylnona-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-5-ethenyl-6-propyl-3-pyrimidin-2-ylnona-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-5-ethenyl-6-propyl-3-pyrimidin-2-ylnona-2,4-dien-2-amine is C=C/C(=C\C(=C(/C)N)c1ncccn1)C(CCC)CCC.
What is the InChIKey of (2Z,4E)-5-ethenyl-6-propyl-3-pyrimidin-2-ylnona-2,4-dien-2-amine?
The InChIKey is VFLAGXUNSOBPCH-FBWUVJDOSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-9-16(10-6-2)15(7-3)13-17(14(4)19)18-20-11-8-12-21-18/h7-8,11-13,16H,3,5-6,9-10,19H2,1-2,4H3/b15-13+,17-14-.
What are the key properties of (2Z,4E)-5-ethenyl-6-propyl-3-pyrimidin-2-ylnona-2,4-dien-2-amine?
(2Z,4E)-5-ethenyl-6-propyl-3-pyrimidin-2-ylnona-2,4-dien-2-amine has a molecular weight of 285.44 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-ethenyl-6-propyl-3-pyrimidin-2-ylnona-2,4-dien-2-amine is sourced from PubChem (CID 144956127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).