2-(cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one

C15H21N3OS — CID 86280445

IUPAC2-(cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one
SMILESCCc1csc2c(=O)n(CC)c(NC3CCCC3)nc12
InChIInChI=1S/C15H21N3OS/c1-3-10-9-20-13-12(10)17-15(18(4-2)14(13)19)16-11-7-5-6-8-11/h9,11H,3-8H2,1-2H3,(H,16,17)
InChIKeyBWSIWBJRZRFBBB-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.39
Rot. Bonds4

About 2-(cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one

2-(cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one (PubChem CID 86280445) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one
PubChem CID86280445
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-(cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one
SMILESCCc1csc2c(=O)n(CC)c(NC3CCCC3)nc12
InChIInChI=1S/C15H21N3OS/c1-3-10-9-20-13-12(10)17-15(18(4-2)14(13)19)16-11-7-5-6-8-11/h9,11H,3-8H2,1-2H3,(H,16,17)
InChIKeyBWSIWBJRZRFBBB-UHFFFAOYSA-N
XLogP3.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one (CID 86280445) is 2-(cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one is CCc1csc2c(=O)n(CC)c(NC3CCCC3)nc12.
What is the InChIKey of 2-(cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is BWSIWBJRZRFBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-10-9-20-13-12(10)17-15(18(4-2)14(13)19)16-11-7-5-6-8-11/h9,11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one?
2-(cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 291.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 86280445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).