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

C20H30N6O — CID 133433575

IUPAC2-N,2-N-dimethyl-4-N-(2-morpholin-4-yl-2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(NCC(c2ccccc2)N2CCOCC2)nc(N(C)C)n1
InChIInChI=1S/C20H30N6O/c1-15(2)18-22-19(24-20(23-18)25(3)4)21-14-17(16-8-6-5-7-9-16)26-10-12-27-13-11-26/h5-9,15,17H,10-14H2,1-4H3,(H,21,22,23,24)
InChIKeyXELUSUYETBSVTC-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.55
Rot. Bonds7

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

2-N,2-N-dimethyl-4-N-(2-morpholin-4-yl-2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 133433575) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(2-morpholin-4-yl-2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(2-morpholin-4-yl-2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID133433575
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name2-N,2-N-dimethyl-4-N-(2-morpholin-4-yl-2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(NCC(c2ccccc2)N2CCOCC2)nc(N(C)C)n1
InChIInChI=1S/C20H30N6O/c1-15(2)18-22-19(24-20(23-18)25(3)4)21-14-17(16-8-6-5-7-9-16)26-10-12-27-13-11-26/h5-9,15,17H,10-14H2,1-4H3,(H,21,22,23,24)
InChIKeyXELUSUYETBSVTC-UHFFFAOYSA-N
XLogP2.55
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(2-morpholin-4-yl-2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(2-morpholin-4-yl-2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 133433575) is 2-N,2-N-dimethyl-4-N-(2-morpholin-4-yl-2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(2-morpholin-4-yl-2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(2-morpholin-4-yl-2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)c1nc(NCC(c2ccccc2)N2CCOCC2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(2-morpholin-4-yl-2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is XELUSUYETBSVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-15(2)18-22-19(24-20(23-18)25(3)4)21-14-17(16-8-6-5-7-9-16)26-10-12-27-13-11-26/h5-9,15,17H,10-14H2,1-4H3,(H,21,22,23,24).
What are the key properties of 2-N,2-N-dimethyl-4-N-(2-morpholin-4-yl-2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-4-N-(2-morpholin-4-yl-2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 370.50 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(2-morpholin-4-yl-2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 133433575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).