2-(cyclopentylamino)-3-ethyl-7-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-one

C24H30N4O2S — CID 118720006

IUPAC2-(cyclopentylamino)-3-ethyl-7-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCCC2)nc2c(-c3ccc(CN4CCOCC4)cc3)csc2c1=O
InChIInChI=1S/C24H30N4O2S/c1-2-28-23(29)22-21(26-24(28)25-19-5-3-4-6-19)20(16-31-22)18-9-7-17(8-10-18)15-27-11-13-30-14-12-27/h7-10,16,19H,2-6,11-15H2,1H3,(H,25,26)
InChIKeyXFJQWGBAKVNZJJ-UHFFFAOYSA-N
MW438.60 g/mol
LogP4.33
Rot. Bonds6

About 2-(cyclopentylamino)-3-ethyl-7-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-one

2-(cyclopentylamino)-3-ethyl-7-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 118720006) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 2-(cyclopentylamino)-3-ethyl-7-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-3-ethyl-7-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID118720006
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name2-(cyclopentylamino)-3-ethyl-7-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCCC2)nc2c(-c3ccc(CN4CCOCC4)cc3)csc2c1=O
InChIInChI=1S/C24H30N4O2S/c1-2-28-23(29)22-21(26-24(28)25-19-5-3-4-6-19)20(16-31-22)18-9-7-17(8-10-18)15-27-11-13-30-14-12-27/h7-10,16,19H,2-6,11-15H2,1H3,(H,25,26)
InChIKeyXFJQWGBAKVNZJJ-UHFFFAOYSA-N
XLogP4.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-3-ethyl-7-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclopentylamino)-3-ethyl-7-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-one (CID 118720006) is 2-(cyclopentylamino)-3-ethyl-7-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclopentylamino)-3-ethyl-7-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclopentylamino)-3-ethyl-7-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-one is CCn1c(NC2CCCC2)nc2c(-c3ccc(CN4CCOCC4)cc3)csc2c1=O.
What is the InChIKey of 2-(cyclopentylamino)-3-ethyl-7-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is XFJQWGBAKVNZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-2-28-23(29)22-21(26-24(28)25-19-5-3-4-6-19)20(16-31-22)18-9-7-17(8-10-18)15-27-11-13-30-14-12-27/h7-10,16,19H,2-6,11-15H2,1H3,(H,25,26).
What are the key properties of 2-(cyclopentylamino)-3-ethyl-7-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-one?
2-(cyclopentylamino)-3-ethyl-7-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 438.60 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-3-ethyl-7-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118720006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).