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

C14H15N5OS — CID 135431174

IUPAC2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCc2cn3c(C)cc(C)nc3n2)n1
InChIInChI=1S/C14H15N5OS/c1-8-4-10(3)19-6-11(17-13(19)15-8)7-21-14-16-9(2)5-12(20)18-14/h4-6H,7H2,1-3H3,(H,16,18,20)
InChIKeyABOPOWLHPRTJNP-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.03
Rot. Bonds3

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

2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135431174) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135431174
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCc2cn3c(C)cc(C)nc3n2)n1
InChIInChI=1S/C14H15N5OS/c1-8-4-10(3)19-6-11(17-13(19)15-8)7-21-14-16-9(2)5-12(20)18-14/h4-6H,7H2,1-3H3,(H,16,18,20)
InChIKeyABOPOWLHPRTJNP-UHFFFAOYSA-N
XLogP2.03
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.03
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-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one (CID 135431174) is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=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-methyl-1H-pyrimidin-6-one?
The InChIKey is ABOPOWLHPRTJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8-4-10(3)19-6-11(17-13(19)15-8)7-21-14-16-9(2)5-12(20)18-14/h4-6H,7H2,1-3H3,(H,16,18,20).
What are the key properties of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one?
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 301.38 g/mol, XLogP of 2.03, 3 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135431174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).