6-(2,5-dimethylhexa-2,4-dien-3-yl)-1,3,5-triazine-2,4-diamine

C11H17N5 — CID 89382982

IUPAC6-(2,5-dimethylhexa-2,4-dien-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)=CC(=C(C)C)c1nc(N)nc(N)n1
InChIInChI=1S/C11H17N5/c1-6(2)5-8(7(3)4)9-14-10(12)16-11(13)15-9/h5H,1-4H3,(H4,12,13,14,15,16)
InChIKeyGGLKDCWUAXWOHC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.80
Rot. Bonds2

About 6-(2,5-dimethylhexa-2,4-dien-3-yl)-1,3,5-triazine-2,4-diamine

6-(2,5-dimethylhexa-2,4-dien-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 89382982) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-(2,5-dimethylhexa-2,4-dien-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,5-dimethylhexa-2,4-dien-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID89382982
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name6-(2,5-dimethylhexa-2,4-dien-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)=CC(=C(C)C)c1nc(N)nc(N)n1
InChIInChI=1S/C11H17N5/c1-6(2)5-8(7(3)4)9-14-10(12)16-11(13)15-9/h5H,1-4H3,(H4,12,13,14,15,16)
InChIKeyGGLKDCWUAXWOHC-UHFFFAOYSA-N
XLogP1.80
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 139256418
CID 139256418
2,4-dimethyl-6-[(3E)-penta-1,3-dien-3-yl]-1,3,5-triazine
CID 121360259
2-Cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine
CID 123394077
2-Chloro-4-penta-1,3-dien-2-yl-6-pent-2-en-2-yl-1,3,5-triazine
CID 123599205
2-Chloro-4-(cyclooctatetraenyl)-6-methyl-1,3,5-triazine
CID 123974938
6-[(3E)-hexa-1,3,5-trien-3-yl]-1,3,5-triazine-2,4-diamine
CID 129131779
6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine
CID 129131915
6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine
CID 130317639
2-methyl-4-[(2Z,4E)-octa-2,4,6,7-tetraen-4-yl]-6-[(3E,5Z)-octa-3,5,7-trien-4-yl]-1,3,5-triazine
CID 131969772
2-[(2E,4Z)-hepta-2,4-dien-2-yl]-4,6-dimethyl-1,3,5-triazine
CID 134224792
6-Cyclohexa-1,5-dien-1-yl-1,3,5-triazine-2,4-diamine
CID 138713630
6-But-2-enyl-1,3,5-triazine-2,4-diamine
CID 140055794

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylhexa-2,4-dien-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,5-dimethylhexa-2,4-dien-3-yl)-1,3,5-triazine-2,4-diamine (CID 89382982) is 6-(2,5-dimethylhexa-2,4-dien-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,5-dimethylhexa-2,4-dien-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,5-dimethylhexa-2,4-dien-3-yl)-1,3,5-triazine-2,4-diamine is CC(C)=CC(=C(C)C)c1nc(N)nc(N)n1.
What is the InChIKey of 6-(2,5-dimethylhexa-2,4-dien-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GGLKDCWUAXWOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-6(2)5-8(7(3)4)9-14-10(12)16-11(13)15-9/h5H,1-4H3,(H4,12,13,14,15,16).
What are the key properties of 6-(2,5-dimethylhexa-2,4-dien-3-yl)-1,3,5-triazine-2,4-diamine?
6-(2,5-dimethylhexa-2,4-dien-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 219.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylhexa-2,4-dien-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 89382982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).