6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid

C24H24N4O3 — CID 25124384

IUPAC6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid
SMILESCc1ccc(-c2c(-c3ccccc3)oc3ncnc(NCCCCCC(=O)O)c23)nc1
InChIInChI=1S/C24H24N4O3/c1-16-11-12-18(26-14-16)20-21-23(25-13-7-3-6-10-19(29)30)27-15-28-24(21)31-22(20)17-8-4-2-5-9-17/h2,4-5,8-9,11-12,14-15H,3,6-7,10,13H2,1H3,(H,29,30)(H,25,27,28)
InChIKeyKGYOAZOCZUPOIQ-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.32
Rot. Bonds9

About 6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid

6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid (PubChem CID 25124384) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid
PubChem CID25124384
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid
SMILESCc1ccc(-c2c(-c3ccccc3)oc3ncnc(NCCCCCC(=O)O)c23)nc1
InChIInChI=1S/C24H24N4O3/c1-16-11-12-18(26-14-16)20-21-23(25-13-7-3-6-10-19(29)30)27-15-28-24(21)31-22(20)17-8-4-2-5-9-17/h2,4-5,8-9,11-12,14-15H,3,6-7,10,13H2,1H3,(H,29,30)(H,25,27,28)
InChIKeyKGYOAZOCZUPOIQ-UHFFFAOYSA-N
XLogP5.32
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

CID 46212971
CID 46212971
CID 1583275
CID 1583275
CID 1587957
CID 1587957
CID 17756743
CID 17756743
CID 290208
CID 290208
CID 6539749
CID 6539749
CID 6539751
CID 6539751
CID 6539753
CID 6539753
CID 6539754
CID 6539754
CID 6539756
CID 6539756
CID 6539757
CID 6539757
CID 6539758
CID 6539758

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid?
The IUPAC name of 6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid (CID 25124384) is 6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid.
What is the SMILES notation for 6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid?
The canonical SMILES for 6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid is Cc1ccc(-c2c(-c3ccccc3)oc3ncnc(NCCCCCC(=O)O)c23)nc1.
What is the InChIKey of 6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid?
The InChIKey is KGYOAZOCZUPOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16-11-12-18(26-14-16)20-21-23(25-13-7-3-6-10-19(29)30)27-15-28-24(21)31-22(20)17-8-4-2-5-9-17/h2,4-5,8-9,11-12,14-15H,3,6-7,10,13H2,1H3,(H,29,30)(H,25,27,28).
What are the key properties of 6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid?
6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid has a molecular weight of 416.48 g/mol, XLogP of 5.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(5-methyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid is sourced from PubChem (CID 25124384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).