2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol

C13H15N5O2 — CID 139023673

IUPAC2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol
SMILESCn1cnc2c(NCC(C)(O)c3ccco3)ncnc21
InChIInChI=1S/C13H15N5O2/c1-13(19,9-4-3-5-20-9)6-14-11-10-12(16-7-15-11)18(2)8-17-10/h3-5,7-8,19H,6H2,1-2H3,(H,14,15,16)
InChIKeyZJZANHWGWCIKPB-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.28
Rot. Bonds4

About 2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol

2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol (PubChem CID 139023673) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol
PubChem CID139023673
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol
SMILESCn1cnc2c(NCC(C)(O)c3ccco3)ncnc21
InChIInChI=1S/C13H15N5O2/c1-13(19,9-4-3-5-20-9)6-14-11-10-12(16-7-15-11)18(2)8-17-10/h3-5,7-8,19H,6H2,1-2H3,(H,14,15,16)
InChIKeyZJZANHWGWCIKPB-UHFFFAOYSA-N
XLogP1.28
TPSA89.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol 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

2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol
CID 133323675
N-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine
CID 172904500
[3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol
CID 154735606
3-[(9-methylpurin-6-yl)amino]propanoic acid
CID 14161254
2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol
CID 133323807
N'-(9-methylpurin-6-yl)propane-1,3-diamine
CID 83833396
4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid
CID 53237483
N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine
CID 142335220
4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one
CID 133323930
9-methyl-N-phenylmethoxypurin-6-amine
CID 14602815
1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol
CID 133323859
9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine
CID 53237481

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol?
The IUPAC name of 2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol (CID 139023673) is 2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol.
What is the SMILES notation for 2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol?
The canonical SMILES for 2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol is Cn1cnc2c(NCC(C)(O)c3ccco3)ncnc21.
What is the InChIKey of 2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol?
The InChIKey is ZJZANHWGWCIKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-13(19,9-4-3-5-20-9)6-14-11-10-12(16-7-15-11)18(2)8-17-10/h3-5,7-8,19H,6H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol?
2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol has a molecular weight of 273.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol is sourced from PubChem (CID 139023673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).