2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone

C16H17ClN4O2S — CID 2810508

IUPAC2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1nc(-c2ccccn2)nc(SCC(=O)N2CCOCC2)c1Cl
InChIInChI=1S/C16H17ClN4O2S/c1-11-14(17)16(20-15(19-11)12-4-2-3-5-18-12)24-10-13(22)21-6-8-23-9-7-21/h2-5H,6-10H2,1H3
InChIKeyGRTZJHGGZAXRRA-UHFFFAOYSA-N
MW364.86 g/mol
LogP2.45
Rot. Bonds4

About 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone

2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 2810508) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID2810508
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC Name2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCc1nc(-c2ccccn2)nc(SCC(=O)N2CCOCC2)c1Cl
InChIInChI=1S/C16H17ClN4O2S/c1-11-14(17)16(20-15(19-11)12-4-2-3-5-18-12)24-10-13(22)21-6-8-23-9-7-21/h2-5H,6-10H2,1H3
InChIKeyGRTZJHGGZAXRRA-UHFFFAOYSA-N
XLogP2.45
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone (CID 2810508) is 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone is Cc1nc(-c2ccccn2)nc(SCC(=O)N2CCOCC2)c1Cl.
What is the InChIKey of 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is GRTZJHGGZAXRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c1-11-14(17)16(20-15(19-11)12-4-2-3-5-18-12)24-10-13(22)21-6-8-23-9-7-21/h2-5H,6-10H2,1H3.
What are the key properties of 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 364.86 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 2810508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).