5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine

C16H22N8O2 — CID 58508197

IUPAC5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine
SMILESCc1nc(N)ncc1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H22N8O2/c1-11-12(10-18-14(17)19-11)13-20-15(23-2-6-25-7-3-23)22-16(21-13)24-4-8-26-9-5-24/h10H,2-9H2,1H3,(H2,17,18,19)
InChIKeyWDFOQWYGTLNGLU-UHFFFAOYSA-N
MW358.41 g/mol
LogP-0.11
Rot. Bonds3

About 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine

5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine (PubChem CID 58508197) has the molecular formula C16H22N8O2 and a molecular weight of 358.41 g/mol. Its IUPAC name is 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine
PubChem CID58508197
Molecular FormulaC16H22N8O2
Molecular Weight358.41 g/mol
Exact Mass358.19
IUPAC Name5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine
SMILESCc1nc(N)ncc1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H22N8O2/c1-11-12(10-18-14(17)19-11)13-20-15(23-2-6-25-7-3-23)22-16(21-13)24-4-8-26-9-5-24/h10H,2-9H2,1H3,(H2,17,18,19)
InChIKeyWDFOQWYGTLNGLU-UHFFFAOYSA-N
XLogP-0.11
TPSA115.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine?
The IUPAC name of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine (CID 58508197) is 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine is Cc1nc(N)ncc1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine?
The InChIKey is WDFOQWYGTLNGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O2/c1-11-12(10-18-14(17)19-11)13-20-15(23-2-6-25-7-3-23)22-16(21-13)24-4-8-26-9-5-24/h10H,2-9H2,1H3,(H2,17,18,19).
What are the key properties of 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine?
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine has a molecular weight of 358.41 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 58508197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).