N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide

C16H21N3O3S — CID 50949917

IUPACN-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)N(Cc2ccco2)C(C)C(C)C)c(=O)[nH]1
InChIInChI=1S/C16H21N3O3S/c1-10(2)11(3)19(9-12-6-5-7-22-12)15(21)13-8-17-16(23-4)18-14(13)20/h5-8,10-11H,9H2,1-4H3,(H,17,18,20)
InChIKeyXYKPDDDIZZMLJM-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.77
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide

N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 50949917) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID50949917
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)N(Cc2ccco2)C(C)C(C)C)c(=O)[nH]1
InChIInChI=1S/C16H21N3O3S/c1-10(2)11(3)19(9-12-6-5-7-22-12)15(21)13-8-17-16(23-4)18-14(13)20/h5-8,10-11H,9H2,1-4H3,(H,17,18,20)
InChIKeyXYKPDDDIZZMLJM-UHFFFAOYSA-N
XLogP2.77
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94599867
N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 46982169
N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 46999123
(E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide
CID 50983253
5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide
CID 36703097
N-(furan-2-ylmethyl)-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 18111834
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709
N-(2-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 138521421
N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide
CID 132988725
N-(furan-2-ylmethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763376
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 26195903

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 50949917) is N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide is CSc1ncc(C(=O)N(Cc2ccco2)C(C)C(C)C)c(=O)[nH]1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is XYKPDDDIZZMLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-10(2)11(3)19(9-12-6-5-7-22-12)15(21)13-8-17-16(23-4)18-14(13)20/h5-8,10-11H,9H2,1-4H3,(H,17,18,20).
What are the key properties of N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 50949917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).