4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane

C13H20N8O — CID 145231636

IUPAC4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane
SMILESCC.Nc1ncc(-c2nc(N)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C11H14N8O.C2H6/c12-9-14-5-7(6-15-9)8-16-10(13)18-11(17-8)19-1-3-20-4-2-19;1-2/h5-6H,1-4H2,(H2,12,14,15)(H2,13,16,17,18);1-2H3
InChIKeyRTHIVKOEURWXEV-UHFFFAOYSA-N
MW304.36 g/mol
LogP0.36
Rot. Bonds2

About 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane

4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane (PubChem CID 145231636) has the molecular formula C13H20N8O and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane
PubChem CID145231636
Molecular FormulaC13H20N8O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane
SMILESCC.Nc1ncc(-c2nc(N)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C11H14N8O.C2H6/c12-9-14-5-7(6-15-9)8-16-10(13)18-11(17-8)19-1-3-20-4-2-19;1-2/h5-6H,1-4H2,(H2,12,14,15)(H2,13,16,17,18);1-2H3
InChIKeyRTHIVKOEURWXEV-UHFFFAOYSA-N
XLogP0.36
TPSA128.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-[4-(2-Methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 44158465
5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pyrimidin-2-amine
CID 46202651
4-(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 616971
2-Morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-amine
CID 2816900
US10392376, Example 75
CID 137417716
(2-(Morpholin-4-yl)pyrimidin-5-yl)methanamine
CID 42556097
3-[[2-(Methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane
CID 56886496
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72935483
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine
CID 73440651
2-Ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine
CID 95857239
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 95857248
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118742778

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane (CID 145231636) is 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane is CC.Nc1ncc(-c2nc(N)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane?
The InChIKey is RTHIVKOEURWXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8O.C2H6/c12-9-14-5-7(6-15-9)8-16-10(13)18-11(17-8)19-1-3-20-4-2-19;1-2/h5-6H,1-4H2,(H2,12,14,15)(H2,13,16,17,18);1-2H3.
What are the key properties of 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane?
4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane has a molecular weight of 304.36 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;ethane is sourced from PubChem (CID 145231636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).