7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one

C22H25N7O2S — CID 164903229

IUPAC7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one
SMILESCc1cc(-c2cccs2)ncc1Nc1ncc2c(n1)n(CCN1CCOCC1)c(=O)n2C
InChIInChI=1S/C22H25N7O2S/c1-15-12-16(19-4-3-11-32-19)23-13-17(15)25-21-24-14-18-20(26-21)29(22(30)27(18)2)6-5-28-7-9-31-10-8-28/h3-4,11-14H,5-10H2,1-2H3,(H,24,25,26)
InChIKeyXUFDNKXNLQKZRF-UHFFFAOYSA-N
MW451.56 g/mol
LogP2.64
Rot. Bonds6

About 7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one

7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one (PubChem CID 164903229) has the molecular formula C22H25N7O2S and a molecular weight of 451.56 g/mol. Its IUPAC name is 7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one.

Molecular Properties

Compound Name7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one
PubChem CID164903229
Molecular FormulaC22H25N7O2S
Molecular Weight451.56 g/mol
Exact Mass451.18
IUPAC Name7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one
SMILESCc1cc(-c2cccs2)ncc1Nc1ncc2c(n1)n(CCN1CCOCC1)c(=O)n2C
InChIInChI=1S/C22H25N7O2S/c1-15-12-16(19-4-3-11-32-19)23-13-17(15)25-21-24-14-18-20(26-21)29(22(30)27(18)2)6-5-28-7-9-31-10-8-28/h3-4,11-14H,5-10H2,1-2H3,(H,24,25,26)
InChIKeyXUFDNKXNLQKZRF-UHFFFAOYSA-N
XLogP2.64
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one with MolForge

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Related Compounds

2-[[6-(2,5-dihydrofuran-3-yl)-4-methyl-3-pyridinyl]amino]-7-methyl-9-(oxan-4-yl)purin-8-one
CID 164903281
2-methylidene-4-[7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)amino]-8-oxopurin-9-yl]butanenitrile
CID 176919084
2-[(6-deuteriooxy-4-methyl-3-pyridinyl)amino]-7-methyl-9-(oxan-4-yl)purin-8-one
CID 168776530
N'-[4-methyl-5-[[7-methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]amino]-2-pyridinyl]methanimidamide;molecular hydrogen
CID 177365111
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide
CID 53119696
2-hydroxy-5-methyl-4-[[7-methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]amino]benzamide
CID 156889796
2,4-dimethyl-6-(3-morpholin-4-ylpropyl)-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione
CID 3653163
4-[7-methyl-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-8-oxopurin-9-yl]oxane-4-carbonitrile
CID 162717767
N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92571387
3,5-dimethyl-6-[[7-methyl-8-oxo-9-(thiolan-3-yl)purin-2-yl]amino]-1,3-benzoxazol-2-one;propane
CID 176918889
9-[(3S)-3-fluoro-1-bicyclo[2.1.1]hexanyl]-7-methyl-2-[(7-methylquinoxalin-6-yl)amino]purin-8-one
CID 176919108

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one?
The IUPAC name of 7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one (CID 164903229) is 7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one.
What is the SMILES notation for 7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one?
The canonical SMILES for 7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one is Cc1cc(-c2cccs2)ncc1Nc1ncc2c(n1)n(CCN1CCOCC1)c(=O)n2C.
What is the InChIKey of 7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one?
The InChIKey is XUFDNKXNLQKZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2S/c1-15-12-16(19-4-3-11-32-19)23-13-17(15)25-21-24-14-18-20(26-21)29(22(30)27(18)2)6-5-28-7-9-31-10-8-28/h3-4,11-14H,5-10H2,1-2H3,(H,24,25,26).
What are the key properties of 7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one?
7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one has a molecular weight of 451.56 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(4-methyl-6-thiophen-2-yl-3-pyridinyl)amino]-9-(2-morpholin-4-ylethyl)purin-8-one is sourced from PubChem (CID 164903229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).