4-[4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]thiomorpholine

C16H19N5OS — CID 46960853

IUPAC4-[4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]thiomorpholine
SMILESc1cnc(-c2cnc(N3CCSCC3)nc2C2CCCO2)cn1
InChIInChI=1S/C16H19N5OS/c1-2-14(22-7-1)15-12(13-11-17-3-4-18-13)10-19-16(20-15)21-5-8-23-9-6-21/h3-4,10-11,14H,1-2,5-9H2
InChIKeyITVVRMWVNLWPAO-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.34
Rot. Bonds3

About 4-[4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]thiomorpholine

4-[4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]thiomorpholine (PubChem CID 46960853) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-[4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]thiomorpholine.

Molecular Properties

Compound Name4-[4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]thiomorpholine
PubChem CID46960853
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name4-[4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]thiomorpholine
SMILESc1cnc(-c2cnc(N3CCSCC3)nc2C2CCCO2)cn1
InChIInChI=1S/C16H19N5OS/c1-2-14(22-7-1)15-12(13-11-17-3-4-18-13)10-19-16(20-15)21-5-8-23-9-6-21/h3-4,10-11,14H,1-2,5-9H2
InChIKeyITVVRMWVNLWPAO-UHFFFAOYSA-N
XLogP2.34
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]thiomorpholine?
The IUPAC name of 4-[4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]thiomorpholine (CID 46960853) is 4-[4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]thiomorpholine.
What is the SMILES notation for 4-[4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]thiomorpholine?
The canonical SMILES for 4-[4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]thiomorpholine is c1cnc(-c2cnc(N3CCSCC3)nc2C2CCCO2)cn1.
What is the InChIKey of 4-[4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]thiomorpholine?
The InChIKey is ITVVRMWVNLWPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-2-14(22-7-1)15-12(13-11-17-3-4-18-13)10-19-16(20-15)21-5-8-23-9-6-21/h3-4,10-11,14H,1-2,5-9H2.
What are the key properties of 4-[4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]thiomorpholine?
4-[4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]thiomorpholine has a molecular weight of 329.43 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]thiomorpholine is sourced from PubChem (CID 46960853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).