2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine

C13H17N3 — CID 143699702

IUPAC2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine
SMILESC=C/C=C\C=C(/C)CNc1ccnc(C)n1
InChIInChI=1S/C13H17N3/c1-4-5-6-7-11(2)10-15-13-8-9-14-12(3)16-13/h4-9H,1,10H2,2-3H3,(H,14,15,16)/b6-5-,11-7+
InChIKeyFFNORRJBINEVSW-GNLLZQBYSA-N
MW215.30 g/mol
LogP2.89
Rot. Bonds5

About 2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine

2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine (PubChem CID 143699702) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine
PubChem CID143699702
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine
SMILESC=C/C=C\C=C(/C)CNc1ccnc(C)n1
InChIInChI=1S/C13H17N3/c1-4-5-6-7-11(2)10-15-13-8-9-14-12(3)16-13/h4-9H,1,10H2,2-3H3,(H,14,15,16)/b6-5-,11-7+
InChIKeyFFNORRJBINEVSW-GNLLZQBYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.89
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 2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine (CID 143699702) is 2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine is C=C/C=C\C=C(/C)CNc1ccnc(C)n1.
What is the InChIKey of 2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine?
The InChIKey is FFNORRJBINEVSW-GNLLZQBYSA-N. The full InChI is InChI=1S/C13H17N3/c1-4-5-6-7-11(2)10-15-13-8-9-14-12(3)16-13/h4-9H,1,10H2,2-3H3,(H,14,15,16)/b6-5-,11-7+.
What are the key properties of 2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine?
2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine has a molecular weight of 215.30 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine is sourced from PubChem (CID 143699702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).