2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine

C13H24N6O — CID 80782031

IUPAC2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NC(C)C2CCCO2)n1
InChIInChI=1S/C13H24N6O/c1-4-19(5-2)13-17-11(14)16-12(18-13)15-9(3)10-7-6-8-20-10/h9-10H,4-8H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyBLCKRIIIIUYHDS-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.28
Rot. Bonds6

About 2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 80782031) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID80782031
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NC(C)C2CCCO2)n1
InChIInChI=1S/C13H24N6O/c1-4-19(5-2)13-17-11(14)16-12(18-13)15-9(3)10-7-6-8-20-10/h9-10H,4-8H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyBLCKRIIIIUYHDS-UHFFFAOYSA-N
XLogP1.28
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80780773
2-N-[1-(oxolan-2-yl)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80774979
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80786818
4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80782030
6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80782108
4-N-(2,3-dimethylcyclohexyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80772477
4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80841384
2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80833177
2-N-ethyl-6-methoxy-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799814
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80780771
N-[1-(oxan-2-yl)ethyl]-2H-tetrazol-5-amine
CID 164651622

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 80782031) is 2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(NC(C)C2CCCO2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BLCKRIIIIUYHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-4-19(5-2)13-17-11(14)16-12(18-13)15-9(3)10-7-6-8-20-10/h9-10H,4-8H2,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 280.38 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80782031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).