2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide

C20H27N3O3S — CID 112832848

IUPAC2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)NCCOC1CCCCC1C
InChIInChI=1S/C20H27N3O3S/c1-13-7-4-5-8-15(13)26-12-10-21-19(24)17-14(2)22-18(23-20(17)27-3)16-9-6-11-25-16/h6,9,11,13,15H,4-5,7-8,10,12H2,1-3H3,(H,21,24)
InChIKeyGMLPTWYVSGCLIV-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.09
Rot. Bonds7

About 2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide

2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 112832848) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide
PubChem CID112832848
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)NCCOC1CCCCC1C
InChIInChI=1S/C20H27N3O3S/c1-13-7-4-5-8-15(13)26-12-10-21-19(24)17-14(2)22-18(23-20(17)27-3)16-9-6-11-25-16/h6,9,11,13,15H,4-5,7-8,10,12H2,1-3H3,(H,21,24)
InChIKeyGMLPTWYVSGCLIV-UHFFFAOYSA-N
XLogP4.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide (CID 112832848) is 2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide is CSc1nc(-c2ccco2)nc(C)c1C(=O)NCCOC1CCCCC1C.
What is the InChIKey of 2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is GMLPTWYVSGCLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-13-7-4-5-8-15(13)26-12-10-21-19(24)17-14(2)22-18(23-20(17)27-3)16-9-6-11-25-16/h6,9,11,13,15H,4-5,7-8,10,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide?
2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 112832848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).