2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one

C22H27N5O2S — CID 118720007

IUPAC2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCCC2)nc2c(-c3ccc(N4CCOCC4)nc3)csc2c1=O
InChIInChI=1S/C22H27N5O2S/c1-2-27-21(28)20-19(25-22(27)24-16-5-3-4-6-16)17(14-30-20)15-7-8-18(23-13-15)26-9-11-29-12-10-26/h7-8,13-14,16H,2-6,9-12H2,1H3,(H,24,25)
InChIKeyJUTYAJADZTZCBP-UHFFFAOYSA-N
MW425.56 g/mol
LogP3.73
Rot. Bonds5

About 2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one

2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118720007) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID118720007
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCCC2)nc2c(-c3ccc(N4CCOCC4)nc3)csc2c1=O
InChIInChI=1S/C22H27N5O2S/c1-2-27-21(28)20-19(25-22(27)24-16-5-3-4-6-16)17(14-30-20)15-7-8-18(23-13-15)26-9-11-29-12-10-26/h7-8,13-14,16H,2-6,9-12H2,1H3,(H,24,25)
InChIKeyJUTYAJADZTZCBP-UHFFFAOYSA-N
XLogP3.73
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

4-Amino-N-Methyl-2-[4-(Morpholin-4-Yl)phenyl]thieno[3,2-C]pyridine-7-Carboxamide
CID 53497571
1-[4-[1-[(2,6-Difluorophenyl)methyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-2,4-dioxo-3-pyridin-2-ylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
CID 9895596
1-[4-[1-[(2,6-Difluorophenyl)methyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
CID 53386915
1-[4-[1-[(2,6-Difluorophenyl)methyl]-3-(5-fluoro-2-pyridinyl)-5-[[2-methoxyethyl(methyl)amino]methyl]-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
CID 53386916
3-Ethyl-2-(Propan-2-Ylamino)-7-(Pyridin-3-Yl)thieno[3,2-D]pyrimidin-4(3h)-One
CID 91667427
Methyl 3-[3-ethyl-2-[(3-fluoro-4-pyridinyl)amino]-4-oxothieno[3,2-d]pyrimidin-7-yl]piperidine-1-carboxylate
CID 118724093
1-[3-[3-Ethyl-2-[(3-fluoro-4-pyridinyl)amino]-4-oxothieno[3,2-d]pyrimidin-7-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118724095
4-Methyl-2-phenyl-thiazole-5-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 36145850
3-Methyl-6-phenyl-2-(2-pyridin-4-ylethylamino)thieno[3,2-d]pyrimidin-4-one
CID 49790673
4-amino-N-ethyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide
CID 56925356
4-amino-2-(4-morpholin-4-ylphenyl)-N-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 56925357
4-amino-N-benzyl-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide
CID 56925358

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one (CID 118720007) is 2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one is CCn1c(NC2CCCC2)nc2c(-c3ccc(N4CCOCC4)nc3)csc2c1=O.
What is the InChIKey of 2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is JUTYAJADZTZCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-2-27-21(28)20-19(25-22(27)24-16-5-3-4-6-16)17(14-30-20)15-7-8-18(23-13-15)26-9-11-29-12-10-26/h7-8,13-14,16H,2-6,9-12H2,1H3,(H,24,25).
What are the key properties of 2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one?
2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 425.56 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118720007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).