5-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrimidin-2-amine

C11H15N3 — CID 129306195

IUPAC5-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrimidin-2-amine
SMILESCC/C=C\C=C(/C)c1cnc(N)nc1
InChIInChI=1S/C11H15N3/c1-3-4-5-6-9(2)10-7-13-11(12)14-8-10/h4-8H,3H2,1-2H3,(H2,12,13,14)/b5-4-,9-6+
InChIKeyHXGFZIGQMGGIKP-KMOPYBJPSA-N
MW189.26 g/mol
LogP2.43
Rot. Bonds3

About 5-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrimidin-2-amine

5-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrimidin-2-amine (PubChem CID 129306195) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrimidin-2-amine
PubChem CID129306195
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name5-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrimidin-2-amine
SMILESCC/C=C\C=C(/C)c1cnc(N)nc1
InChIInChI=1S/C11H15N3/c1-3-4-5-6-9(2)10-7-13-11(12)14-8-10/h4-8H,3H2,1-2H3,(H2,12,13,14)/b5-4-,9-6+
InChIKeyHXGFZIGQMGGIKP-KMOPYBJPSA-N
XLogP2.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.43
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 5-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrimidin-2-amine (CID 129306195) is 5-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrimidin-2-amine is CC/C=C\C=C(/C)c1cnc(N)nc1.
What is the InChIKey of 5-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrimidin-2-amine?
The InChIKey is HXGFZIGQMGGIKP-KMOPYBJPSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-4-5-6-9(2)10-7-13-11(12)14-8-10/h4-8H,3H2,1-2H3,(H2,12,13,14)/b5-4-,9-6+.
What are the key properties of 5-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrimidin-2-amine?
5-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrimidin-2-amine has a molecular weight of 189.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 129306195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).