N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine

C14H19N5O2 — CID 136590916

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC/N=C1/NC(N(C)Cc2ccc3c(c2)OCO3)=NC(C)N1
InChIInChI=1S/C14H19N5O2/c1-9-16-13(15-2)18-14(17-9)19(3)7-10-4-5-11-12(6-10)21-8-20-11/h4-6,9H,7-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyRTPUVELLZMUAFC-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.73
Rot. Bonds2

About N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine

N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 136590916) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID136590916
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC/N=C1/NC(N(C)Cc2ccc3c(c2)OCO3)=NC(C)N1
InChIInChI=1S/C14H19N5O2/c1-9-16-13(15-2)18-14(17-9)19(3)7-10-4-5-11-12(6-10)21-8-20-11/h4-6,9H,7-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyRTPUVELLZMUAFC-UHFFFAOYSA-N
XLogP0.73
TPSA70.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 136590916) is N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is C/N=C1/NC(N(C)Cc2ccc3c(c2)OCO3)=NC(C)N1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is RTPUVELLZMUAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-16-13(15-2)18-14(17-9)19(3)7-10-4-5-11-12(6-10)21-8-20-11/h4-6,9H,7-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 289.34 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 136590916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).