4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H19N3OS — CID 136976394

IUPAC4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCc1ccsc1CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H19N3OS/c1-4-10-5-6-19-11(10)8-15-12-7-13(18)17-14(16-12)9(2)3/h5-7,9H,4,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyJEYSXAFPIYSBLF-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.13
Rot. Bonds5

About 4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136976394) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136976394
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCc1ccsc1CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H19N3OS/c1-4-10-5-6-19-11(10)8-15-12-7-13(18)17-14(16-12)9(2)3/h5-7,9H,4,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyJEYSXAFPIYSBLF-UHFFFAOYSA-N
XLogP3.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-4-(1,3-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one
CID 136977422
4-[(2-aminophenyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979430
4-[(3-bromothiophen-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136976445
4-[(4-nitrophenyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974146
2-propan-2-yl-4-(pyrimidin-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136750493
4-[(3-amino-2-methylphenyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136713562
4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974229
4-(2,2-difluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976580
4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016485
4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974289
4-N-[(3-ethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80855130
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80926173

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136976394) is 4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CCc1ccsc1CNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JEYSXAFPIYSBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-10-5-6-19-11(10)8-15-12-7-13(18)17-14(16-12)9(2)3/h5-7,9H,4,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 277.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylthiophen-2-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136976394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).