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

C15H22N4O3S — CID 662174

IUPAC4-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)butanamide
SMILESCc1oc2nc(SCCCC(=O)NCCCO)nc(N)c2c1C
InChIInChI=1S/C15H22N4O3S/c1-9-10(2)22-14-12(9)13(16)18-15(19-14)23-8-3-5-11(21)17-6-4-7-20/h20H,3-8H2,1-2H3,(H,17,21)(H2,16,18,19)
InChIKeyABUROUZAPKAPFT-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.79
Rot. Bonds8

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

4-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)butanamide (PubChem CID 662174) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)butanamide.

Molecular Properties

Compound Name4-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)butanamide
PubChem CID662174
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name4-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)butanamide
SMILESCc1oc2nc(SCCCC(=O)NCCCO)nc(N)c2c1C
InChIInChI=1S/C15H22N4O3S/c1-9-10(2)22-14-12(9)13(16)18-15(19-14)23-8-3-5-11(21)17-6-4-7-20/h20H,3-8H2,1-2H3,(H,17,21)(H2,16,18,19)
InChIKeyABUROUZAPKAPFT-UHFFFAOYSA-N
XLogP1.79
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)butanamide?
The IUPAC name of 4-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)butanamide (CID 662174) is 4-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)butanamide.
What is the SMILES notation for 4-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)butanamide?
The canonical SMILES for 4-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)butanamide is Cc1oc2nc(SCCCC(=O)NCCCO)nc(N)c2c1C.
What is the InChIKey of 4-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)butanamide?
The InChIKey is ABUROUZAPKAPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-9-10(2)22-14-12(9)13(16)18-15(19-14)23-8-3-5-11(21)17-6-4-7-20/h20H,3-8H2,1-2H3,(H,17,21)(H2,16,18,19).
What are the key properties of 4-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)butanamide?
4-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)butanamide has a molecular weight of 338.43 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)butanamide is sourced from PubChem (CID 662174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).