4-[4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

C16H20ClN7O2S — CID 3157005

IUPAC4-[4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCc1cc(Sc2nc(N3CCOCC3)nc(N3CCOCC3)n2)nc(Cl)n1
InChIInChI=1S/C16H20ClN7O2S/c1-11-10-12(19-13(17)18-11)27-16-21-14(23-2-6-25-7-3-23)20-15(22-16)24-4-8-26-9-5-24/h10H,2-9H2,1H3
InChIKeyCMXSDSBBSPKOEE-UHFFFAOYSA-N
MW409.90 g/mol
LogP1.45
Rot. Bonds4

About 4-[4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

4-[4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 3157005) has the molecular formula C16H20ClN7O2S and a molecular weight of 409.90 g/mol. Its IUPAC name is 4-[4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID3157005
Molecular FormulaC16H20ClN7O2S
Molecular Weight409.90 g/mol
Exact Mass409.11
IUPAC Name4-[4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCc1cc(Sc2nc(N3CCOCC3)nc(N3CCOCC3)n2)nc(Cl)n1
InChIInChI=1S/C16H20ClN7O2S/c1-11-10-12(19-13(17)18-11)27-16-21-14(23-2-6-25-7-3-23)20-15(22-16)24-4-8-26-9-5-24/h10H,2-9H2,1H3
InChIKeyCMXSDSBBSPKOEE-UHFFFAOYSA-N
XLogP1.45
TPSA89.39 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 3157005) is 4-[4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is Cc1cc(Sc2nc(N3CCOCC3)nc(N3CCOCC3)n2)nc(Cl)n1.
What is the InChIKey of 4-[4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is CMXSDSBBSPKOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN7O2S/c1-11-10-12(19-13(17)18-11)27-16-21-14(23-2-6-25-7-3-23)20-15(22-16)24-4-8-26-9-5-24/h10H,2-9H2,1H3.
What are the key properties of 4-[4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 409.90 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 3157005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).