4-methyl-2-[2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]ethyl]-1H-pyrimidin-6-one

C18H20N4OS — CID 137290006

IUPAC4-methyl-2-[2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]ethyl]-1H-pyrimidin-6-one
SMILESCSc1ccc2c(C)cc(NCCc3nc(C)cc(=O)[nH]3)nc2c1
InChIInChI=1S/C18H20N4OS/c1-11-8-17(21-15-10-13(24-3)4-5-14(11)15)19-7-6-16-20-12(2)9-18(23)22-16/h4-5,8-10H,6-7H2,1-3H3,(H,19,21)(H,20,22,23)
InChIKeyRAJYVDFLSMTKRM-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.31
Rot. Bonds5

About 4-methyl-2-[2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]ethyl]-1H-pyrimidin-6-one

4-methyl-2-[2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]ethyl]-1H-pyrimidin-6-one (PubChem CID 137290006) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-methyl-2-[2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]ethyl]-1H-pyrimidin-6-one
PubChem CID137290006
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name4-methyl-2-[2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]ethyl]-1H-pyrimidin-6-one
SMILESCSc1ccc2c(C)cc(NCCc3nc(C)cc(=O)[nH]3)nc2c1
InChIInChI=1S/C18H20N4OS/c1-11-8-17(21-15-10-13(24-3)4-5-14(11)15)19-7-6-16-20-12(2)9-18(23)22-16/h4-5,8-10H,6-7H2,1-3H3,(H,19,21)(H,20,22,23)
InChIKeyRAJYVDFLSMTKRM-UHFFFAOYSA-N
XLogP3.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]ethyl]-1H-pyrimidin-6-one (CID 137290006) is 4-methyl-2-[2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]ethyl]-1H-pyrimidin-6-one is CSc1ccc2c(C)cc(NCCc3nc(C)cc(=O)[nH]3)nc2c1.
What is the InChIKey of 4-methyl-2-[2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]ethyl]-1H-pyrimidin-6-one?
The InChIKey is RAJYVDFLSMTKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-11-8-17(21-15-10-13(24-3)4-5-14(11)15)19-7-6-16-20-12(2)9-18(23)22-16/h4-5,8-10H,6-7H2,1-3H3,(H,19,21)(H,20,22,23).
What are the key properties of 4-methyl-2-[2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]ethyl]-1H-pyrimidin-6-one?
4-methyl-2-[2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]ethyl]-1H-pyrimidin-6-one has a molecular weight of 340.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137290006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).