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

C12H19N5 — CID 157424652

IUPAC6-N,6-N,4-trimethyl-2-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1=C(NC2=NC(C)N=C(N(C)C)N2)C=CC1
InChIInChI=1S/C12H19N5/c1-8-6-5-7-10(8)15-11-13-9(2)14-12(16-11)17(3)4/h5,7,9H,6H2,1-4H3,(H2,13,14,15,16)
InChIKeyLSXHSEBPFCVJGR-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.03
Rot. Bonds1

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

6-N,6-N,4-trimethyl-2-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 157424652) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 6-N,6-N,4-trimethyl-2-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name6-N,6-N,4-trimethyl-2-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID157424652
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name6-N,6-N,4-trimethyl-2-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1=C(NC2=NC(C)N=C(N(C)C)N2)C=CC1
InChIInChI=1S/C12H19N5/c1-8-6-5-7-10(8)15-11-13-9(2)14-12(16-11)17(3)4/h5,7,9H,6H2,1-4H3,(H2,13,14,15,16)
InChIKeyLSXHSEBPFCVJGR-UHFFFAOYSA-N
XLogP1.03
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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CID 21486764
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CID 123354238
1-[(2Z,5Z)-3-amino-2-(methylamino)-4-methylidenehepta-2,5-dienyl]-2-methylguanidine
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3-[(2E,4Z)-6-cyanohepta-2,4,6-trien-3-yl]-2-ethenyl-1,1-dimethylguanidine
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1-Cyclohepta-1,4,6-trien-1-yl-3-ethyl-1,2-dimethylguanidine
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8-ethyl-4-methyl-4,7-dihydro-1H-pyrido[2,3-d]pyrimidin-2-amine
CID 148275077
(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
(4E)-N,1-dimethyl-4-[(Z)-5-methyl-4-methylidenehex-2-enylidene]imidazolidin-2-imine
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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N,4-trimethyl-2-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 6-N,6-N,4-trimethyl-2-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 157424652) is 6-N,6-N,4-trimethyl-2-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 6-N,6-N,4-trimethyl-2-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 6-N,6-N,4-trimethyl-2-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine is CC1=C(NC2=NC(C)N=C(N(C)C)N2)C=CC1.
What is the InChIKey of 6-N,6-N,4-trimethyl-2-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is LSXHSEBPFCVJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-8-6-5-7-10(8)15-11-13-9(2)14-12(16-11)17(3)4/h5,7,9H,6H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 6-N,6-N,4-trimethyl-2-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?
6-N,6-N,4-trimethyl-2-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N,4-trimethyl-2-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 157424652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).