4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C12H22N6O — CID 622318

IUPAC4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C12H22N6O/c1-4-13-10-15-11(14-9(2)3)17-12(16-10)18-5-7-19-8-6-18/h9H,4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyGXVXDCBLKYGZHJ-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.96
Rot. Bonds5

About 4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 622318) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID622318
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C12H22N6O/c1-4-13-10-15-11(14-9(2)3)17-12(16-10)18-5-7-19-8-6-18/h9H,4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyGXVXDCBLKYGZHJ-UHFFFAOYSA-N
XLogP0.96
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

(4-Chloro-6-morpholin-4-yl-[1,3,5]triazin-2-yl)-cyclopentyl-amine
CID 790425
2-N-tert-butyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 3762337
4-Methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 709353
2-Methoxy-4-isopropylamino-6-diethylamino-S-triazine
CID 18152
6-(4-Morpholinyl)-1,3,5-triazine-2,4-diamine
CID 96906
N-isopropyl-4-(methylthio)-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 898987
4-methoxy-N-methyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 976569
4,6-dimorpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 2057546
N-allyl-N'-ethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 2295099
N-cyclopentyl-6-(morpholin-4-yl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 672863
N,N,N',N'-tetramethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 1508119
s-Triazine, 2,4-bis(methylamino)-6-morpholino-
CID 204412

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 622318) is 4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(NC(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of 4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is GXVXDCBLKYGZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-4-13-10-15-11(14-9(2)3)17-12(16-10)18-5-7-19-8-6-18/h9H,4-8H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 266.35 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-morpholin-4-yl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 622318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).