4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one

C14H19N3OS — CID 136974890

IUPAC4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC(C)c2cc(C)sc2C)cc(=O)[nH]1
InChIInChI=1S/C14H19N3OS/c1-5-12-16-13(7-14(18)17-12)15-9(3)11-6-8(2)19-10(11)4/h6-7,9H,5H2,1-4H3,(H2,15,16,17,18)
InChIKeyVYYPIQMDZDEFAN-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.18
Rot. Bonds4

About 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one

4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136974890) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136974890
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC(C)c2cc(C)sc2C)cc(=O)[nH]1
InChIInChI=1S/C14H19N3OS/c1-5-12-16-13(7-14(18)17-12)15-9(3)11-6-8(2)19-10(11)4/h6-7,9H,5H2,1-4H3,(H2,15,16,17,18)
InChIKeyVYYPIQMDZDEFAN-UHFFFAOYSA-N
XLogP3.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974893
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136975120
2-cyclopropyl-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974892
2-[6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271947
2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136949432
4-(4-aminobutan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 137008677
2-ethyl-4-(pent-4-yn-2-ylamino)-1H-pyrimidin-6-one
CID 136977106
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112726778
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136978373
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958442
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine
CID 66328796

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one (CID 136974890) is 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NC(C)c2cc(C)sc2C)cc(=O)[nH]1.
What is the InChIKey of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is VYYPIQMDZDEFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-5-12-16-13(7-14(18)17-12)15-9(3)11-6-8(2)19-10(11)4/h6-7,9H,5H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one?
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 277.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136974890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).