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

C16H22N4O2S — CID 713294

IUPAC2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide
SMILESCc1oc2nc(SCC(=O)NC3CCCCC3)nc(N)c2c1C
InChIInChI=1S/C16H22N4O2S/c1-9-10(2)22-15-13(9)14(17)19-16(20-15)23-8-12(21)18-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,18,21)(H2,17,19,20)
InChIKeyFUZIMXCJPBUMAJ-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.96
Rot. Bonds4

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

2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide (PubChem CID 713294) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide
PubChem CID713294
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide
SMILESCc1oc2nc(SCC(=O)NC3CCCCC3)nc(N)c2c1C
InChIInChI=1S/C16H22N4O2S/c1-9-10(2)22-15-13(9)14(17)19-16(20-15)23-8-12(21)18-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,18,21)(H2,17,19,20)
InChIKeyFUZIMXCJPBUMAJ-UHFFFAOYSA-N
XLogP2.96
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-Dimethylfuro[2,3-d]pyrimidin-4-amine
CID 290219
4-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-hydroxypropyl)butanamide
CID 662174
2-((4-Amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)thio)-1-(piperidin-1-yl)ethanone
CID 930864
2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide
CID 952729
2-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1182237
Methyl 2-[({[4-(benzoylamino)-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl]thio}acetyl)amino]benzoate
CID 1257632
2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 1887739
4-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-hydroxyethyl)butanamide
CID 1890403
Ethyl 4-{[({[4-(benzoylamino)-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl]thio}acetyl)amino]methyl}benzoate
CID 2228264
N-(sec-butyl)-2,6-dimethyl-4-morpholinofuro[2,3-d]pyrimidine-5-carboxamide
CID 16023793
N-(2-methoxyethyl)-2,6-dimethyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 16023817
US11311520, Example 38
CID 135259085

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide?
The IUPAC name of 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide (CID 713294) is 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide is Cc1oc2nc(SCC(=O)NC3CCCCC3)nc(N)c2c1C.
What is the InChIKey of 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide?
The InChIKey is FUZIMXCJPBUMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-9-10(2)22-15-13(9)14(17)19-16(20-15)23-8-12(21)18-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,18,21)(H2,17,19,20).
What are the key properties of 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide?
2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-cyclohexylacetamide has a molecular weight of 334.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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-cyclohexylacetamide is sourced from PubChem (CID 713294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).