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

C15H17N3OS — CID 118719996

IUPAC2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4-one
SMILESC#Cc1csc2c(=O)n(CC)c(NC3CCCC3)nc12
InChIInChI=1S/C15H17N3OS/c1-3-10-9-20-13-12(10)17-15(18(4-2)14(13)19)16-11-7-5-6-8-11/h1,9,11H,4-8H2,2H3,(H,16,17)
InChIKeyOANQHUSHGBNVCN-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.81
Rot. Bonds3

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

2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4-one (PubChem CID 118719996) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4-one
PubChem CID118719996
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4-one
SMILESC#Cc1csc2c(=O)n(CC)c(NC3CCCC3)nc12
InChIInChI=1S/C15H17N3OS/c1-3-10-9-20-13-12(10)17-15(18(4-2)14(13)19)16-11-7-5-6-8-11/h1,9,11H,4-8H2,2H3,(H,16,17)
InChIKeyOANQHUSHGBNVCN-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4-one (CID 118719996) is 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4-one is C#Cc1csc2c(=O)n(CC)c(NC3CCCC3)nc12.
What is the InChIKey of 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is OANQHUSHGBNVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-3-10-9-20-13-12(10)17-15(18(4-2)14(13)19)16-11-7-5-6-8-11/h1,9,11H,4-8H2,2H3,(H,16,17).
What are the key properties of 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4-one?
2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 287.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118719996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).