2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C11H13N5O2S — CID 2148140

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESNc1cc(N)nc(SCC(=O)NCc2ccco2)n1
InChIInChI=1S/C11H13N5O2S/c12-8-4-9(13)16-11(15-8)19-6-10(17)14-5-7-2-1-3-18-7/h1-4H,5-6H2,(H,14,17)(H4,12,13,15,16)
InChIKeyVAQKQDKAAWYLPH-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.64
Rot. Bonds5

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 2148140) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID2148140
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESNc1cc(N)nc(SCC(=O)NCc2ccco2)n1
InChIInChI=1S/C11H13N5O2S/c12-8-4-9(13)16-11(15-8)19-6-10(17)14-5-7-2-1-3-18-7/h1-4H,5-6H2,(H,14,17)(H4,12,13,15,16)
InChIKeyVAQKQDKAAWYLPH-UHFFFAOYSA-N
XLogP0.64
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(Furan-2-ylmethyl)-3-((4-(methyl(propyl)amino)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanamide
CID 155541857
2-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-furylmethyl)acetamide
CID 588017
Acetamide, 2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-N-(2-furanylmethyl)-
CID 2302362
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 645160
4-Amino-2-{[(furan-2-ylmethyl)-carbamoyl]-methylsulfanyl}-pyrimidine-5-carboxylic acid ethyl ester
CID 653779
2-[4-(4-Fluoro-phenyl)-6-trifluoromethyl-pyrimidin-2-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 1146170
N-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2105425
2-(7-cyclopropyl-3-methyl-2,4-dioxo-1-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2470591
N-(furan-2-ylmethyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 2945113
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 3168334
2-(1,3-dimethyl-2,4-dioxo-7-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 5310098
N-[6-((S)-2-Methoxymethylpyrrolidin-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 25208255

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 2148140) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is Nc1cc(N)nc(SCC(=O)NCc2ccco2)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VAQKQDKAAWYLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c12-8-4-9(13)16-11(15-8)19-6-10(17)14-5-7-2-1-3-18-7/h1-4H,5-6H2,(H,14,17)(H4,12,13,15,16).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 279.32 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2148140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).