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

C20H28N4O3S — CID 78844839

IUPAC2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C20H28N4O3S/c1-13(2)11-24-7-9-26-15(12-24)10-21-19(25)17-14(3)22-18(23-20(17)28-4)16-6-5-8-27-16/h5-6,8,13,15H,7,9-12H2,1-4H3,(H,21,25)
InChIKeyIUWRPRXEYUVHIX-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.85
Rot. Bonds7

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

2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 78844839) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide
PubChem CID78844839
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC Name2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C20H28N4O3S/c1-13(2)11-24-7-9-26-15(12-24)10-21-19(25)17-14(3)22-18(23-20(17)28-4)16-6-5-8-27-16/h5-6,8,13,15H,7,9-12H2,1-4H3,(H,21,25)
InChIKeyIUWRPRXEYUVHIX-UHFFFAOYSA-N
XLogP2.85
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 30469024
2-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 24642445
2-(furan-2-yl)-4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-6-methylsulfanylpyrimidine-5-carboxamide
CID 112832848
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-nitrobenzamide
CID 42887586
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780
2-(furan-2-yl)-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-methylsulfanylpyrimidine-5-carboxamide
CID 55550240
2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide
CID 52658925
2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide
CID 39483842
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 136535403

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide (CID 78844839) is 2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide is CSc1nc(-c2ccco2)nc(C)c1C(=O)NCC1CN(CC(C)C)CCO1.
What is the InChIKey of 2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is IUWRPRXEYUVHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-13(2)11-24-7-9-26-15(12-24)10-21-19(25)17-14(3)22-18(23-20(17)28-4)16-6-5-8-27-16/h5-6,8,13,15H,7,9-12H2,1-4H3,(H,21,25).
What are the key properties of 2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide?
2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-6-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 78844839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).