2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

C13H26N6 — CID 80764116

IUPAC2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(N(CC)CC)nc(N(C)C(C)C)n1
InChIInChI=1S/C13H26N6/c1-7-14-11-15-12(18(6)10(4)5)17-13(16-11)19(8-2)9-3/h10H,7-9H2,1-6H3,(H,14,15,16,17)
InChIKeyLDEVKFZONDTDNO-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.99
Rot. Bonds7

About 2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80764116) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID80764116
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(N(CC)CC)nc(N(C)C(C)C)n1
InChIInChI=1S/C13H26N6/c1-7-14-11-15-12(18(6)10(4)5)17-13(16-11)19(8-2)9-3/h10H,7-9H2,1-6H3,(H,14,15,16,17)
InChIKeyLDEVKFZONDTDNO-UHFFFAOYSA-N
XLogP1.99
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (CID 80764116) is 2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(N(CC)CC)nc(N(C)C(C)C)n1.
What is the InChIKey of 2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LDEVKFZONDTDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6/c1-7-14-11-15-12(18(6)10(4)5)17-13(16-11)19(8-2)9-3/h10H,7-9H2,1-6H3,(H,14,15,16,17).
What are the key properties of 2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 266.39 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80764116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).