2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C14H26N6O — CID 80773484

IUPAC2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)CN(C)c1nc(NC)nc(N2CCOCC2)n1
InChIInChI=1S/C14H26N6O/c1-5-11(2)10-19(4)13-16-12(15-3)17-14(18-13)20-6-8-21-9-7-20/h11H,5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyWBDKQDMJUXGYMZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.23
Rot. Bonds6

About 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80773484) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID80773484
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)CN(C)c1nc(NC)nc(N2CCOCC2)n1
InChIInChI=1S/C14H26N6O/c1-5-11(2)10-19(4)13-16-12(15-3)17-14(18-13)20-6-8-21-9-7-20/h11H,5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyWBDKQDMJUXGYMZ-UHFFFAOYSA-N
XLogP1.23
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 80773484) is 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CCC(C)CN(C)c1nc(NC)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is WBDKQDMJUXGYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-5-11(2)10-19(4)13-16-12(15-3)17-14(18-13)20-6-8-21-9-7-20/h11H,5-10H2,1-4H3,(H,15,16,17,18).
What are the key properties of 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 294.40 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80773484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).