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

C12H19N5 — CID 157151385

IUPAC6-N,4-dimethyl-6-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1=CC(CN(C)C2=NC(C)N=C(N)N2)=CC1
InChIInChI=1S/C12H19N5/c1-8-4-5-10(6-8)7-17(3)12-15-9(2)14-11(13)16-12/h5-6,9H,4,7H2,1-3H3,(H3,13,14,15,16)
InChIKeyUOPBJNAMBXSGEA-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.81
Rot. Bonds2

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

6-N,4-dimethyl-6-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 157151385) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 6-N,4-dimethyl-6-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name6-N,4-dimethyl-6-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID157151385
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name6-N,4-dimethyl-6-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESCC1=CC(CN(C)C2=NC(C)N=C(N)N2)=CC1
InChIInChI=1S/C12H19N5/c1-8-4-5-10(6-8)7-17(3)12-15-9(2)14-11(13)16-12/h5-6,9H,4,7H2,1-3H3,(H3,13,14,15,16)
InChIKeyUOPBJNAMBXSGEA-UHFFFAOYSA-N
XLogP0.81
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N,4-dimethyl-6-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 6-N,4-dimethyl-6-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 157151385) is 6-N,4-dimethyl-6-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 6-N,4-dimethyl-6-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 6-N,4-dimethyl-6-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine is CC1=CC(CN(C)C2=NC(C)N=C(N)N2)=CC1.
What is the InChIKey of 6-N,4-dimethyl-6-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is UOPBJNAMBXSGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-8-4-5-10(6-8)7-17(3)12-15-9(2)14-11(13)16-12/h5-6,9H,4,7H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 6-N,4-dimethyl-6-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine?
6-N,4-dimethyl-6-N-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 233.32 g/mol, XLogP of 0.81, 2 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-[(4-methylcyclopenta-1,4-dien-1-yl)methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 157151385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).