2-[2-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethylamino]ethyl]-7-[(3-fluoro-2-pyridinyl)methylamino]-6H-[1,3]thiazolo[5,4-d]pyrimidin-5-one

About 2-[2-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethylamino]ethyl]-7-[(3-fluoro-2-pyridinyl)methylamino]-6H-[1,3]thiazolo[5,4-d]pyrimidin-5-one

2-[2-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethylamino]ethyl]-7-[(3-fluoro-2-pyridinyl)methylamino]-6H-[1,3]thiazolo[5,4-d]pyrimidin-5-one (PubChem CID 146662409) has the molecular formula C20H23FN8OS and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[2-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethylamino]ethyl]-7-[(3-fluoro-2-pyridinyl)methylamino]-6H-[1,3]thiazolo[5,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name	2-[2-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethylamino]ethyl]-7-[(3-fluoro-2-pyridinyl)methylamino]-6H-[1,3]thiazolo[5,4-d]pyrimidin-5-one
PubChem CID	146662409
Molecular Formula	C20H23FN8OS
Molecular Weight	442.52 g/mol
Exact Mass	442.17
IUPAC Name	2-[2-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethylamino]ethyl]-7-[(3-fluoro-2-pyridinyl)methylamino]-6H-[1,3]thiazolo[5,4-d]pyrimidin-5-one
SMILES	Cc1nc(CCNCCc2nc3c(NCc4ncccc4F)[nH]c(=O)nc3s2)[nH]c1C
InChI	InChI=1S/C20H23FN8OS/c1-11-12(2)26-15(25-11)5-8-22-9-6-16-27-17-18(28-20(30)29-19(17)31-16)24-10-14-13(21)4-3-7-23-14/h3-4,7,22H,5-6,8-10H2,1-2H3,(H,25,26)(H2,24,28,29,30)
InChIKey	OAYCGDOGRCXTCW-UHFFFAOYSA-N
XLogP	2.24
TPSA	124.27 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethylamino]ethyl]-7-[(3-fluoro-2-pyridinyl)methylamino]-6H-[1,3]thiazolo[5,4-d]pyrimidin-5-one?

The IUPAC name of 2-[2-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethylamino]ethyl]-7-[(3-fluoro-2-pyridinyl)methylamino]-6H-[1,3]thiazolo[5,4-d]pyrimidin-5-one (CID 146662409) is 2-[2-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethylamino]ethyl]-7-[(3-fluoro-2-pyridinyl)methylamino]-6H-[1,3]thiazolo[5,4-d]pyrimidin-5-one.

What is the SMILES notation for 2-[2-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethylamino]ethyl]-7-[(3-fluoro-2-pyridinyl)methylamino]-6H-[1,3]thiazolo[5,4-d]pyrimidin-5-one?

The canonical SMILES for 2-[2-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethylamino]ethyl]-7-[(3-fluoro-2-pyridinyl)methylamino]-6H-[1,3]thiazolo[5,4-d]pyrimidin-5-one is Cc1nc(CCNCCc2nc3c(NCc4ncccc4F)[nH]c(=O)nc3s2)[nH]c1C.

What is the InChIKey of 2-[2-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethylamino]ethyl]-7-[(3-fluoro-2-pyridinyl)methylamino]-6H-[1,3]thiazolo[5,4-d]pyrimidin-5-one?

The InChIKey is OAYCGDOGRCXTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN8OS/c1-11-12(2)26-15(25-11)5-8-22-9-6-16-27-17-18(28-20(30)29-19(17)31-16)24-10-14-13(21)4-3-7-23-14/h3-4,7,22H,5-6,8-10H2,1-2H3,(H,25,26)(H2,24,28,29,30).

What are the key properties of 2-[2-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethylamino]ethyl]-7-[(3-fluoro-2-pyridinyl)methylamino]-6H-[1,3]thiazolo[5,4-d]pyrimidin-5-one?

2-[2-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethylamino]ethyl]-7-[(3-fluoro-2-pyridinyl)methylamino]-6H-[1,3]thiazolo[5,4-d]pyrimidin-5-one has a molecular weight of 442.52 g/mol, XLogP of 2.24, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethylamino]ethyl]-7-[(3-fluoro-2-pyridinyl)methylamino]-6H-[1,3]thiazolo[5,4-d]pyrimidin-5-one is sourced from PubChem (CID 146662409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).