4-[6-(furan-2-ylmethylsulfanylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine

C19H20N4O2S — CID 58137203

IUPAC4-[6-(furan-2-ylmethylsulfanylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILESc1ccc(-c2nc(CSCc3ccco3)cc(N3CCOCC3)n2)nc1
InChIInChI=1S/C19H20N4O2S/c1-2-6-20-17(5-1)19-21-15(13-26-14-16-4-3-9-25-16)12-18(22-19)23-7-10-24-11-8-23/h1-6,9,12H,7-8,10-11,13-14H2
InChIKeyXWYKYNVNNNACLX-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.40
Rot. Bonds6

About 4-[6-(furan-2-ylmethylsulfanylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine

4-[6-(furan-2-ylmethylsulfanylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine (PubChem CID 58137203) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[6-(furan-2-ylmethylsulfanylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(furan-2-ylmethylsulfanylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
PubChem CID58137203
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-[6-(furan-2-ylmethylsulfanylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILESc1ccc(-c2nc(CSCc3ccco3)cc(N3CCOCC3)n2)nc1
InChIInChI=1S/C19H20N4O2S/c1-2-6-20-17(5-1)19-21-15(13-26-14-16-4-3-9-25-16)12-18(22-19)23-7-10-24-11-8-23/h1-6,9,12H,7-8,10-11,13-14H2
InChIKeyXWYKYNVNNNACLX-UHFFFAOYSA-N
XLogP3.40
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(furan-2-ylmethylsulfanylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(furan-2-ylmethylsulfanylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine (CID 58137203) is 4-[6-(furan-2-ylmethylsulfanylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(furan-2-ylmethylsulfanylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(furan-2-ylmethylsulfanylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine is c1ccc(-c2nc(CSCc3ccco3)cc(N3CCOCC3)n2)nc1.
What is the InChIKey of 4-[6-(furan-2-ylmethylsulfanylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The InChIKey is XWYKYNVNNNACLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-6-20-17(5-1)19-21-15(13-26-14-16-4-3-9-25-16)12-18(22-19)23-7-10-24-11-8-23/h1-6,9,12H,7-8,10-11,13-14H2.
What are the key properties of 4-[6-(furan-2-ylmethylsulfanylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
4-[6-(furan-2-ylmethylsulfanylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine has a molecular weight of 368.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(furan-2-ylmethylsulfanylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 58137203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).