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

C16H17N5O2S — CID 952729

IUPAC2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1oc2nc(SCC(=O)NCc3cccnc3)nc(N)c2c1C
InChIInChI=1S/C16H17N5O2S/c1-9-10(2)23-15-13(9)14(17)20-16(21-15)24-8-12(22)19-7-11-4-3-5-18-6-11/h3-6H,7-8H2,1-2H3,(H,19,22)(H2,17,20,21)
InChIKeyALOJUTWTRHSRPT-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.23
Rot. Bonds5

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

2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 952729) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID952729
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1oc2nc(SCC(=O)NCc3cccnc3)nc(N)c2c1C
InChIInChI=1S/C16H17N5O2S/c1-9-10(2)23-15-13(9)14(17)20-16(21-15)24-8-12(22)19-7-11-4-3-5-18-6-11/h3-6H,7-8H2,1-2H3,(H,19,22)(H2,17,20,21)
InChIKeyALOJUTWTRHSRPT-UHFFFAOYSA-N
XLogP2.23
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide (CID 952729) is 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide is Cc1oc2nc(SCC(=O)NCc3cccnc3)nc(N)c2c1C.
What is the InChIKey of 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ALOJUTWTRHSRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-9-10(2)23-15-13(9)14(17)20-16(21-15)24-8-12(22)19-7-11-4-3-5-18-6-11/h3-6H,7-8H2,1-2H3,(H,19,22)(H2,17,20,21).
What are the key properties of 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide?
2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 952729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).