4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one

C14H19N3OS — CID 62563461

IUPAC4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCNCCc2cccs2)c(=O)n1
InChIInChI=1S/C14H19N3OS/c1-11-10-12(2)17(14(18)16-11)8-7-15-6-5-13-4-3-9-19-13/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyPZUFUZKEXJYTPE-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.75
Rot. Bonds6

About 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one

4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one (PubChem CID 62563461) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one
PubChem CID62563461
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCNCCc2cccs2)c(=O)n1
InChIInChI=1S/C14H19N3OS/c1-11-10-12(2)17(14(18)16-11)8-7-15-6-5-13-4-3-9-19-13/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyPZUFUZKEXJYTPE-UHFFFAOYSA-N
XLogP1.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.75
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-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one (CID 62563461) is 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one is Cc1cc(C)n(CCNCCc2cccs2)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one?
The InChIKey is PZUFUZKEXJYTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11-10-12(2)17(14(18)16-11)8-7-15-6-5-13-4-3-9-19-13/h3-4,9-10,15H,5-8H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one?
4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one has a molecular weight of 277.39 g/mol, XLogP of 1.75, 6 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-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 62563461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).