2-N,2-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine

C10H19N5O — CID 80766845

IUPAC2-N,2-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C10H19N5O/c1-4-7-16-10-13-8(11)12-9(14-10)15(5-2)6-3/h4-7H2,1-3H3,(H2,11,12,13,14)
InChIKeyXEACVYDPQLHMBT-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.09
Rot. Bonds6

About 2-N,2-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80766845) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80766845
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-N,2-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C10H19N5O/c1-4-7-16-10-13-8(11)12-9(14-10)15(5-2)6-3/h4-7H2,1-3H3,(H2,11,12,13,14)
InChIKeyXEACVYDPQLHMBT-UHFFFAOYSA-N
XLogP1.09
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.09
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-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80766845) is 2-N,2-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is XEACVYDPQLHMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-4-7-16-10-13-8(11)12-9(14-10)15(5-2)6-3/h4-7H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-N,2-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 225.30 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80766845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).