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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Related Compounds

4-(2-Furyl)-2-({3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl}thio)-6-(trifluoromethyl)pyrimidine
CID 2964177
2-[(2-Furanylmethylthio)methyl]-5-methylimidazo[1,2-a]pyridine
CID 2997638
N-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 5061160
N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylpyrimidin-4-amine
CID 3234858
N-[2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyrimidin-4-yl]furan-2-carboxamide
CID 76329246
5-(Furan-2-ylmethylsulfonyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 2820060
Furan-2-yl-[4-(6-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 172435199
1-[6-(Furan-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine
CID 172437123
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 4803398
N-(2-{[(Furan-2-YL)methyl]sulfanyl}ethyl)-1-(4-methylpyrimidin-2-YL)piperidine-4-carboxamide
CID 53102204
8-[(Furan-2-YL)methyl]-4-methyl-2-(pyridin-4-YL)-5H,6H,7H,8H-pyrido[2,3-D]pyrimidin-7-one
CID 53193785
8-[(Furan-2-YL)methyl]-4-methyl-2-(pyridin-3-YL)-5H,6H,7H,8H-pyrido[2,3-D]pyrimidin-7-one
CID 53193825

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).