2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one

C16H19N5OS — CID 135459168

IUPAC2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCc2cn3c(C)cc(C)nc3n2)n1
InChIInChI=1S/C16H19N5OS/c1-4-5-12-7-14(22)20-16(19-12)23-9-13-8-21-11(3)6-10(2)17-15(21)18-13/h6-8H,4-5,9H2,1-3H3,(H,19,20,22)
InChIKeyKJQVHQUJUYQQKT-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.67
Rot. Bonds5

About 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one

2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one (PubChem CID 135459168) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
PubChem CID135459168
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCc2cn3c(C)cc(C)nc3n2)n1
InChIInChI=1S/C16H19N5OS/c1-4-5-12-7-14(22)20-16(19-12)23-9-13-8-21-11(3)6-10(2)17-15(21)18-13/h6-8H,4-5,9H2,1-3H3,(H,19,20,22)
InChIKeyKJQVHQUJUYQQKT-UHFFFAOYSA-N
XLogP2.67
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one (CID 135459168) is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(SCc2cn3c(C)cc(C)nc3n2)n1.
What is the InChIKey of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one?
The InChIKey is KJQVHQUJUYQQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-4-5-12-7-14(22)20-16(19-12)23-9-13-8-21-11(3)6-10(2)17-15(21)18-13/h6-8H,4-5,9H2,1-3H3,(H,19,20,22).
What are the key properties of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one?
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one has a molecular weight of 329.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135459168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).