4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine

C16H22N6O2 — CID 117093416

IUPAC4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(Nc2ccc3c(c2)OCO3)nc(N(CC)CC)n1
InChIInChI=1S/C16H22N6O2/c1-4-17-14-19-15(21-16(20-14)22(5-2)6-3)18-11-7-8-12-13(9-11)24-10-23-12/h7-9H,4-6,10H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyAYHRGWWPPFTVLC-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.62
Rot. Bonds7

About 4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine

4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 117093416) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID117093416
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(Nc2ccc3c(c2)OCO3)nc(N(CC)CC)n1
InChIInChI=1S/C16H22N6O2/c1-4-17-14-19-15(21-16(20-14)22(5-2)6-3)18-11-7-8-12-13(9-11)24-10-23-12/h7-9H,4-6,10H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyAYHRGWWPPFTVLC-UHFFFAOYSA-N
XLogP2.62
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-benzyl-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 117089564
2-N-(1,3-benzodioxol-5-yl)-6-chloro-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3514472
4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80769203
2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109332418
2-N-(1,3-benzodioxol-5-yl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901239
4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80977407
4-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901347
2-N,2-N,6-N-triethyl-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80750440
4-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 80748841
4-N-(1,3-benzodioxol-5-yl)-6-chloro-2-N-(3-chloro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3713136
4-N-(3-bromo-4-methylphenyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80815708
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-N,4-N-diethyl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 117090641

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine (CID 117093416) is 4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(Nc2ccc3c(c2)OCO3)nc(N(CC)CC)n1.
What is the InChIKey of 4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is AYHRGWWPPFTVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-4-17-14-19-15(21-16(20-14)22(5-2)6-3)18-11-7-8-12-13(9-11)24-10-23-12/h7-9H,4-6,10H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 330.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 117093416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).