4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine

C20H19ClN4OS — CID 1489499

IUPAC4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILESClc1ccc(SCc2cc(N3CCOCC3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H19ClN4OS/c21-15-4-6-17(7-5-15)27-14-16-13-19(25-9-11-26-12-10-25)24-20(23-16)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2
InChIKeyQRAVHOBHERRTSC-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.32
Rot. Bonds5

About 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine

4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine (PubChem CID 1489499) has the molecular formula C20H19ClN4OS and a molecular weight of 398.92 g/mol. Its IUPAC name is 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
PubChem CID1489499
Molecular FormulaC20H19ClN4OS
Molecular Weight398.92 g/mol
Exact Mass398.10
IUPAC Name4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILESClc1ccc(SCc2cc(N3CCOCC3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H19ClN4OS/c21-15-4-6-17(7-5-15)27-14-16-13-19(25-9-11-26-12-10-25)24-20(23-16)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2
InChIKeyQRAVHOBHERRTSC-UHFFFAOYSA-N
XLogP4.32
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine (CID 1489499) is 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine is Clc1ccc(SCc2cc(N3CCOCC3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The InChIKey is QRAVHOBHERRTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4OS/c21-15-4-6-17(7-5-15)27-14-16-13-19(25-9-11-26-12-10-25)24-20(23-16)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2.
What are the key properties of 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine has a molecular weight of 398.92 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 1489499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).