2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine

C16H19N5 — CID 70790646

IUPAC2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(NC2=CC=CCC2)nc(NC2C=CC=CC2)n1
InChIInChI=1S/C16H19N5/c1-12-17-15(19-13-8-4-2-5-9-13)21-16(18-12)20-14-10-6-3-7-11-14/h2-6,8,10,13H,7,9,11H2,1H3,(H2,17,18,19,20,21)
InChIKeyYHBVAMKWJKEAQY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.12
Rot. Bonds4

About 2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine

2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 70790646) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID70790646
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(NC2=CC=CCC2)nc(NC2C=CC=CC2)n1
InChIInChI=1S/C16H19N5/c1-12-17-15(19-13-8-4-2-5-9-13)21-16(18-12)20-14-10-6-3-7-11-14/h2-6,8,10,13H,7,9,11H2,1H3,(H2,17,18,19,20,21)
InChIKeyYHBVAMKWJKEAQY-UHFFFAOYSA-N
XLogP3.12
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine (CID 70790646) is 2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine is Cc1nc(NC2=CC=CCC2)nc(NC2C=CC=CC2)n1.
What is the InChIKey of 2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YHBVAMKWJKEAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12-17-15(19-13-8-4-2-5-9-13)21-16(18-12)20-14-10-6-3-7-11-14/h2-6,8,10,13H,7,9,11H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 281.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexa-1,3-dien-1-yl-4-N-cyclohexa-2,4-dien-1-yl-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 70790646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).