4,6-dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one

C14H19N3OS — CID 62562759

IUPAC4,6-dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCNCc2ccc(C)s2)c(=O)n1
InChIInChI=1S/C14H19N3OS/c1-10-8-11(2)17(14(18)16-10)7-6-15-9-13-5-4-12(3)19-13/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyRIDNBINTZXLUPF-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.02
Rot. Bonds5

About 4,6-dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one

4,6-dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one (PubChem CID 62562759) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4,6-dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one
PubChem CID62562759
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4,6-dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCNCc2ccc(C)s2)c(=O)n1
InChIInChI=1S/C14H19N3OS/c1-10-8-11(2)17(14(18)16-10)7-6-15-9-13-5-4-12(3)19-13/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyRIDNBINTZXLUPF-UHFFFAOYSA-N
XLogP2.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one (CID 62562759) is 4,6-dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one is Cc1cc(C)n(CCNCc2ccc(C)s2)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one?
The InChIKey is RIDNBINTZXLUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-8-11(2)17(14(18)16-10)7-6-15-9-13-5-4-12(3)19-13/h4-5,8,15H,6-7,9H2,1-3H3.
What are the key properties of 4,6-dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one?
4,6-dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one has a molecular weight of 277.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one is sourced from PubChem (CID 62562759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).