2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C20H24N4O4S — CID 1182237

IUPAC2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CSc2nc(N)c3c(C)c(C)oc3n2)cc1OC
InChIInChI=1S/C20H24N4O4S/c1-11-12(2)28-19-17(11)18(21)23-20(24-19)29-10-16(25)22-8-7-13-5-6-14(26-3)15(9-13)27-4/h5-6,9H,7-8,10H2,1-4H3,(H,22,25)(H2,21,23,24)
InChIKeyAWRRJSJEZMXRLK-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.89
Rot. Bonds8

About 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 1182237) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID1182237
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CSc2nc(N)c3c(C)c(C)oc3n2)cc1OC
InChIInChI=1S/C20H24N4O4S/c1-11-12(2)28-19-17(11)18(21)23-20(24-19)29-10-16(25)22-8-7-13-5-6-14(26-3)15(9-13)27-4/h5-6,9H,7-8,10H2,1-4H3,(H,22,25)(H2,21,23,24)
InChIKeyAWRRJSJEZMXRLK-UHFFFAOYSA-N
XLogP2.89
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 1182237) is 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CSc2nc(N)c3c(C)c(C)oc3n2)cc1OC.
What is the InChIKey of 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is AWRRJSJEZMXRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-11-12(2)28-19-17(11)18(21)23-20(24-19)29-10-16(25)22-8-7-13-5-6-14(26-3)15(9-13)27-4/h5-6,9H,7-8,10H2,1-4H3,(H,22,25)(H2,21,23,24).
What are the key properties of 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 416.50 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 1182237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).