2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

C19H20N4O4S — CID 16832956

IUPAC2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(-n2c(N)cc(=O)nc2SCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H20N4O4S/c1-2-26-14-7-5-13(6-8-14)23-16(20)10-17(24)22-19(23)28-12-18(25)21-11-15-4-3-9-27-15/h3-10H,2,11-12,20H2,1H3,(H,21,25)
InChIKeyUTZORFXEIOQAGQ-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.21
Rot. Bonds8

About 2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 16832956) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID16832956
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(-n2c(N)cc(=O)nc2SCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H20N4O4S/c1-2-26-14-7-5-13(6-8-14)23-16(20)10-17(24)22-19(23)28-12-18(25)21-11-15-4-3-9-27-15/h3-10H,2,11-12,20H2,1H3,(H,21,25)
InChIKeyUTZORFXEIOQAGQ-UHFFFAOYSA-N
XLogP2.21
TPSA112.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 16832954
2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 9401109
2-[[5-(4-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 19732215
6-amino-1-(4-ethoxyphenyl)-2-methylsulfanylpyrimidin-4-one
CID 59123942
N-(furan-2-ylmethyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1042089
ethyl 2-[6-amino-1-(4-methylphenyl)-4-oxopyrimidin-2-yl]sulfanylacetate
CID 17333843
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2595050
methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 2673547
2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 2396679
2-[[4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2464167
3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 19225996
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 16832956) is 2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is CCOc1ccc(-n2c(N)cc(=O)nc2SCC(=O)NCc2ccco2)cc1.
What is the InChIKey of 2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is UTZORFXEIOQAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-2-26-14-7-5-13(6-8-14)23-16(20)10-17(24)22-19(23)28-12-18(25)21-11-15-4-3-9-27-15/h3-10H,2,11-12,20H2,1H3,(H,21,25).
What are the key properties of 2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 400.46 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 16832956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).