2-N-tert-butyl-4-N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C19H28N6O3 — CID 1096074

IUPAC2-N-tert-butyl-4-N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NC(C)(C)C)nc(N3CCOCC3)n2)c(OC)c1
InChIInChI=1S/C19H28N6O3/c1-19(2,3)24-17-21-16(22-18(23-17)25-8-10-28-11-9-25)20-14-7-6-13(26-4)12-15(14)27-5/h6-7,12H,8-11H2,1-5H3,(H2,20,21,22,23,24)
InChIKeyBTGJNQZJPRUNAF-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.68
Rot. Bonds6

About 2-N-tert-butyl-4-N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N-tert-butyl-4-N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 1096074) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-4-N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID1096074
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name2-N-tert-butyl-4-N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NC(C)(C)C)nc(N3CCOCC3)n2)c(OC)c1
InChIInChI=1S/C19H28N6O3/c1-19(2,3)24-17-21-16(22-18(23-17)25-8-10-28-11-9-25)20-14-7-6-13(26-4)12-15(14)27-5/h6-7,12H,8-11H2,1-5H3,(H2,20,21,22,23,24)
InChIKeyBTGJNQZJPRUNAF-UHFFFAOYSA-N
XLogP2.68
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-4-N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 1096074) is 2-N-tert-butyl-4-N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-4-N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-4-N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(NC(C)(C)C)nc(N3CCOCC3)n2)c(OC)c1.
What is the InChIKey of 2-N-tert-butyl-4-N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is BTGJNQZJPRUNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-19(2,3)24-17-21-16(22-18(23-17)25-8-10-28-11-9-25)20-14-7-6-13(26-4)12-15(14)27-5/h6-7,12H,8-11H2,1-5H3,(H2,20,21,22,23,24).
What are the key properties of 2-N-tert-butyl-4-N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-4-N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 388.47 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1096074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).