2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide

C22H26N4O4S — CID 134048125

IUPAC2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)NCC(c1ccc(C)o1)N1CCOCC1
InChIInChI=1S/C22H26N4O4S/c1-14-6-7-17(30-14)16(26-8-11-28-12-9-26)13-23-21(27)19-15(2)24-20(25-22(19)31-3)18-5-4-10-29-18/h4-7,10,16H,8-9,11-13H2,1-3H3,(H,23,27)
InChIKeyACVHFNVUGOIEFI-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.47
Rot. Bonds7

About 2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide

2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 134048125) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide
PubChem CID134048125
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)NCC(c1ccc(C)o1)N1CCOCC1
InChIInChI=1S/C22H26N4O4S/c1-14-6-7-17(30-14)16(26-8-11-28-12-9-26)13-23-21(27)19-15(2)24-20(25-22(19)31-3)18-5-4-10-29-18/h4-7,10,16H,8-9,11-13H2,1-3H3,(H,23,27)
InChIKeyACVHFNVUGOIEFI-UHFFFAOYSA-N
XLogP3.47
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide
CID 78844839
4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55818753
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847828
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide
CID 24643832
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 18168885
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519
1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
CID 134039015
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 56902722
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide
CID 51283092
5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide
CID 42895264

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide (CID 134048125) is 2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide is CSc1nc(-c2ccco2)nc(C)c1C(=O)NCC(c1ccc(C)o1)N1CCOCC1.
What is the InChIKey of 2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is ACVHFNVUGOIEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-14-6-7-17(30-14)16(26-8-11-28-12-9-26)13-23-21(27)19-15(2)24-20(25-22(19)31-3)18-5-4-10-29-18/h4-7,10,16H,8-9,11-13H2,1-3H3,(H,23,27).
What are the key properties of 2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide?
2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 134048125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).