4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one

C12H16N4O — CID 136976280

IUPAC4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(Nn2c(C)ccc2C)cc(=O)[nH]1
InChIInChI=1S/C12H16N4O/c1-4-10-13-11(7-12(17)14-10)15-16-8(2)5-6-9(16)3/h5-7H,4H2,1-3H3,(H2,13,14,15,17)
InChIKeyVMBGHTLYIRCYBQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.63
Rot. Bonds3

About 4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one

4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136976280) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136976280
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(Nn2c(C)ccc2C)cc(=O)[nH]1
InChIInChI=1S/C12H16N4O/c1-4-10-13-11(7-12(17)14-10)15-16-8(2)5-6-9(16)3/h5-7H,4H2,1-3H3,(H2,13,14,15,17)
InChIKeyVMBGHTLYIRCYBQ-UHFFFAOYSA-N
XLogP1.63
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136976280) is 4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(Nn2c(C)ccc2C)cc(=O)[nH]1.
What is the InChIKey of 4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is VMBGHTLYIRCYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-10-13-11(7-12(17)14-10)15-16-8(2)5-6-9(16)3/h5-7H,4H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 232.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136976280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).