2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide

C18H24N6O2S — CID 136662446

IUPAC2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide
SMILESCN(C)c1nc(C2CC(NC(=O)CC3=CSC4=NCCCN34)C2)cc(=O)[nH]1
InChIInChI=1S/C18H24N6O2S/c1-23(2)17-21-14(9-16(26)22-17)11-6-12(7-11)20-15(25)8-13-10-27-18-19-4-3-5-24(13)18/h9-12H,3-8H2,1-2H3,(H,20,25)(H,21,22,26)
InChIKeyAXJCRYFEKSOPRQ-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.24
Rot. Bonds5

About 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide

2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide (PubChem CID 136662446) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide
PubChem CID136662446
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide
SMILESCN(C)c1nc(C2CC(NC(=O)CC3=CSC4=NCCCN34)C2)cc(=O)[nH]1
InChIInChI=1S/C18H24N6O2S/c1-23(2)17-21-14(9-16(26)22-17)11-6-12(7-11)20-15(25)8-13-10-27-18-19-4-3-5-24(13)18/h9-12H,3-8H2,1-2H3,(H,20,25)(H,21,22,26)
InChIKeyAXJCRYFEKSOPRQ-UHFFFAOYSA-N
XLogP1.24
TPSA93.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide?
The IUPAC name of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide (CID 136662446) is 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide?
The canonical SMILES for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide is CN(C)c1nc(C2CC(NC(=O)CC3=CSC4=NCCCN34)C2)cc(=O)[nH]1.
What is the InChIKey of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide?
The InChIKey is AXJCRYFEKSOPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-23(2)17-21-14(9-16(26)22-17)11-6-12(7-11)20-15(25)8-13-10-27-18-19-4-3-5-24(13)18/h9-12H,3-8H2,1-2H3,(H,20,25)(H,21,22,26).
What are the key properties of 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide?
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide has a molecular weight of 388.50 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide is sourced from PubChem (CID 136662446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).