2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone

C15H20N4O2S — CID 930864

IUPAC2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone
SMILESCc1oc2nc(SCC(=O)N3CCCCC3)nc(N)c2c1C
InChIInChI=1S/C15H20N4O2S/c1-9-10(2)21-14-12(9)13(16)17-15(18-14)22-8-11(20)19-6-4-3-5-7-19/h3-8H2,1-2H3,(H2,16,17,18)
InChIKeyLFGRSMLPPOMTIY-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.53
Rot. Bonds3

About 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone

2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone (PubChem CID 930864) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone
PubChem CID930864
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone
SMILESCc1oc2nc(SCC(=O)N3CCCCC3)nc(N)c2c1C
InChIInChI=1S/C15H20N4O2S/c1-9-10(2)21-14-12(9)13(16)17-15(18-14)22-8-11(20)19-6-4-3-5-7-19/h3-8H2,1-2H3,(H2,16,17,18)
InChIKeyLFGRSMLPPOMTIY-UHFFFAOYSA-N
XLogP2.53
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone (CID 930864) is 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone is Cc1oc2nc(SCC(=O)N3CCCCC3)nc(N)c2c1C.
What is the InChIKey of 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
The InChIKey is LFGRSMLPPOMTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-9-10(2)21-14-12(9)13(16)17-15(18-14)22-8-11(20)19-6-4-3-5-7-19/h3-8H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone?
2-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone has a molecular weight of 320.42 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 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-1-piperidin-1-ylethanone is sourced from PubChem (CID 930864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).