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

C12H23N5O — CID 80763865

IUPAC6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(N(CCC)CCC)n1
InChIInChI=1S/C12H23N5O/c1-4-7-17(8-5-2)11-14-10(13)15-12(16-11)18-9-6-3/h4-9H2,1-3H3,(H2,13,14,15,16)
InChIKeyZXOGUYVIEXZRRU-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.87
Rot. Bonds8

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

6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine (PubChem CID 80763865) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
PubChem CID80763865
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(N(CCC)CCC)n1
InChIInChI=1S/C12H23N5O/c1-4-7-17(8-5-2)11-14-10(13)15-12(16-11)18-9-6-3/h4-9H2,1-3H3,(H2,13,14,15,16)
InChIKeyZXOGUYVIEXZRRU-UHFFFAOYSA-N
XLogP1.87
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine (CID 80763865) is 6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(N(CCC)CCC)n1.
What is the InChIKey of 6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZXOGUYVIEXZRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-7-17(8-5-2)11-14-10(13)15-12(16-11)18-9-6-3/h4-9H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80763865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).