4-(4-pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine

C15H19N7OS — CID 150376604

IUPAC4-(4-pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine
SMILESc1ncc(-c2nc(N3CCOCC3)nc(N3CCSCC3)n2)cn1
InChIInChI=1S/C15H19N7OS/c1-5-23-6-2-21(1)14-18-13(12-9-16-11-17-10-12)19-15(20-14)22-3-7-24-8-4-22/h9-11H,1-8H2
InChIKeyGYVFVHWOMUZISA-UHFFFAOYSA-N
MW345.43 g/mol
LogP0.72
Rot. Bonds3

About 4-(4-pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine

4-(4-pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine (PubChem CID 150376604) has the molecular formula C15H19N7OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-(4-pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine
PubChem CID150376604
Molecular FormulaC15H19N7OS
Molecular Weight345.43 g/mol
Exact Mass345.14
IUPAC Name4-(4-pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine
SMILESc1ncc(-c2nc(N3CCOCC3)nc(N3CCSCC3)n2)cn1
InChIInChI=1S/C15H19N7OS/c1-5-23-6-2-21(1)14-18-13(12-9-16-11-17-10-12)19-15(20-14)22-3-7-24-8-4-22/h9-11H,1-8H2
InChIKeyGYVFVHWOMUZISA-UHFFFAOYSA-N
XLogP0.72
TPSA80.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pyrimidin-2-amine
CID 46202651
4-[4-[4-(Difluoromethyl)pyrimidin-5-yl]-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 121334491
5-[5-(Difluoromethyl)-4,6-dimorpholin-4-ylpyrimidin-2-yl]pyrimidin-2-amine
CID 175844623
5-(4-Chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
CID 53328223
[5-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl] acetate
CID 58507699
5-[4-(4-Methylsulfonylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 58507918
5-[4-(4-Methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 58508213
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N,N-dimethylpyrimidin-2-amine
CID 58508295
5-(5-Methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
CID 67297915
5-(4,6-Dimorpholin-4-yl-1,3,5-diazaborinin-2-yl)pyrimidin-2-amine
CID 70229089
5-(5-Methyl-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine
CID 71004442
5-(4-Morpholin-4-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-amine
CID 89903084

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of 4-(4-pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine (CID 150376604) is 4-(4-pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for 4-(4-pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine is c1ncc(-c2nc(N3CCOCC3)nc(N3CCSCC3)n2)cn1.
What is the InChIKey of 4-(4-pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine?
The InChIKey is GYVFVHWOMUZISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7OS/c1-5-23-6-2-21(1)14-18-13(12-9-16-11-17-10-12)19-15(20-14)22-3-7-24-8-4-22/h9-11H,1-8H2.
What are the key properties of 4-(4-pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine?
4-(4-pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine has a molecular weight of 345.43 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrimidin-5-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 150376604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).