2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide

C16H21N3O3S — CID 42739130

IUPAC2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide
SMILESCCc1cc(=O)n(C)c(SC(CC)C(=O)NCc2ccco2)n1
InChIInChI=1S/C16H21N3O3S/c1-4-11-9-14(20)19(3)16(18-11)23-13(5-2)15(21)17-10-12-7-6-8-22-12/h6-9,13H,4-5,10H2,1-3H3,(H,17,21)
InChIKeyYXPFWGCRGRBBEJ-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.12
Rot. Bonds7

About 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide

2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide (PubChem CID 42739130) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide
PubChem CID42739130
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide
SMILESCCc1cc(=O)n(C)c(SC(CC)C(=O)NCc2ccco2)n1
InChIInChI=1S/C16H21N3O3S/c1-4-11-9-14(20)19(3)16(18-11)23-13(5-2)15(21)17-10-12-7-6-8-22-12/h6-9,13H,4-5,10H2,1-3H3,(H,17,21)
InChIKeyYXPFWGCRGRBBEJ-UHFFFAOYSA-N
XLogP2.12
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylbutanamide
CID 42739154
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide
CID 42739469
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 42739114
(2R)-N-(furan-2-ylmethyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7421293
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42739089
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)propanamide
CID 42739075
2-[1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxobutan-2-yl]sulfanyl-6-ethyl-3-methylpyrimidin-4-one
CID 42739161
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 42739470
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 43051158
2-[[5-(4-ethylphenyl)-4-imino-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-(furan-2-ylmethyl)butanamide
CID 135503275
(2S)-N-(furan-2-ylmethyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 955200

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide (CID 42739130) is 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide is CCc1cc(=O)n(C)c(SC(CC)C(=O)NCc2ccco2)n1.
What is the InChIKey of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide?
The InChIKey is YXPFWGCRGRBBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-4-11-9-14(20)19(3)16(18-11)23-13(5-2)15(21)17-10-12-7-6-8-22-12/h6-9,13H,4-5,10H2,1-3H3,(H,17,21).
What are the key properties of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide?
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide has a molecular weight of 335.43 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 42739130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).