6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine

C11H17N5 — CID 158321382

IUPAC6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1=CCC=C1N(C)C1=NC(C)N=C(N)N1
InChIInChI=1S/C11H17N5/c1-7-5-4-6-9(7)16(3)11-14-8(2)13-10(12)15-11/h5-6,8H,4H2,1-3H3,(H3,12,13,14,15)
InChIKeyXMIGWLHCXOJALG-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.77
Rot. Bonds1

About 6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine

6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 158321382) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID158321382
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1=CCC=C1N(C)C1=NC(C)N=C(N)N1
InChIInChI=1S/C11H17N5/c1-7-5-4-6-9(7)16(3)11-14-8(2)13-10(12)15-11/h5-6,8H,4H2,1-3H3,(H3,12,13,14,15)
InChIKeyXMIGWLHCXOJALG-UHFFFAOYSA-N
XLogP0.77
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine with MolForge

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Related Compounds

4-N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine
CID 89682679
6-N-(2-ethylpenta-2,4-dienyl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 123354238
5-ethenyl-2-N,2-N,4-N,4-N,3-pentamethyl-6-[(Z)-prop-1-enyl]-4H-pyrimidine-2,4-diamine
CID 138462046
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 143503835
2-methyl-1-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]guanidine
CID 144190799
N'-[amino-[(3-methylcyclohexa-1,3-dien-1-yl)amino]methyl]pyrrolidine-1-carboximidamide
CID 144527446
2-methyl-1-[(2Z)-2-(methylamino)-2-(3-methylidene-1H-pyrrol-2-ylidene)ethyl]guanidine
CID 155371886
N'-[amino-[(3-methylcyclohexa-1,3-dien-1-yl)amino]methyl]pyrrolidine-1-carboximidamide
CID 163762524
(5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine
CID 167233357
1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(N,N-dimethylcarbamimidoyl)-2-methylguanidine
CID 176543827
3-(Diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099842
3-(Diaminomethylidene)-1-methyl-1-(5-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099844

Frequently Asked Questions

What is the IUPAC name of 6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 158321382) is 6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine is CC1=CCC=C1N(C)C1=NC(C)N=C(N)N1.
What is the InChIKey of 6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is XMIGWLHCXOJALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-7-5-4-6-9(7)16(3)11-14-8(2)13-10(12)15-11/h5-6,8H,4H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?
6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 219.29 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,4-dimethyl-6-N-(5-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 158321382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).