[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone

C23H25N9O2S — CID 25256061

IUPAC[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(n3cnc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)s1
InChIInChI=1S/C23H25N9O2S/c1-14-2-3-17(35-14)21(33)31-5-4-16(12-31)32-13-27-19-18(15-10-25-22(24)26-11-15)28-23(29-20(19)32)30-6-8-34-9-7-30/h2-3,10-11,13,16H,4-9,12H2,1H3,(H2,24,25,26)
InChIKeyVFERQBCJERZPAF-UHFFFAOYSA-N
MW491.58 g/mol
LogP2.16
Rot. Bonds4

About [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone

[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 25256061) has the molecular formula C23H25N9O2S and a molecular weight of 491.58 g/mol. Its IUPAC name is [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID25256061
Molecular FormulaC23H25N9O2S
Molecular Weight491.58 g/mol
Exact Mass491.19
IUPAC Name[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(n3cnc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)s1
InChIInChI=1S/C23H25N9O2S/c1-14-2-3-17(35-14)21(33)31-5-4-16(12-31)32-13-27-19-18(15-10-25-22(24)26-11-15)28-23(29-20(19)32)30-6-8-34-9-7-30/h2-3,10-11,13,16H,4-9,12H2,1H3,(H2,24,25,26)
InChIKeyVFERQBCJERZPAF-UHFFFAOYSA-N
XLogP2.16
TPSA128.18 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.58
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 25256061) is [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC(n3cnc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)s1.
What is the InChIKey of [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is VFERQBCJERZPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O2S/c1-14-2-3-17(35-14)21(33)31-5-4-16(12-31)32-13-27-19-18(15-10-25-22(24)26-11-15)28-23(29-20(19)32)30-6-8-34-9-7-30/h2-3,10-11,13,16H,4-9,12H2,1H3,(H2,24,25,26).
What are the key properties of [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 491.58 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 25256061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).