2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide

C15H20N4O2 — CID 167879268

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
SMILESCc1nc(C)c(CC(=O)NCc2ccc(C)n2C)c(=O)[nH]1
InChIInChI=1S/C15H20N4O2/c1-9-5-6-12(19(9)4)8-16-14(20)7-13-10(2)17-11(3)18-15(13)21/h5-6H,7-8H2,1-4H3,(H,16,20)(H,17,18,21)
InChIKeySWTFSXYIQRBXGP-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.89
Rot. Bonds4

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide (PubChem CID 167879268) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
PubChem CID167879268
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
SMILESCc1nc(C)c(CC(=O)NCc2ccc(C)n2C)c(=O)[nH]1
InChIInChI=1S/C15H20N4O2/c1-9-5-6-12(19(9)4)8-16-14(20)7-13-10(2)17-11(3)18-15(13)21/h5-6H,7-8H2,1-4H3,(H,16,20)(H,17,18,21)
InChIKeySWTFSXYIQRBXGP-UHFFFAOYSA-N
XLogP0.89
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide (CID 167879268) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide is Cc1nc(C)c(CC(=O)NCc2ccc(C)n2C)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide?
The InChIKey is SWTFSXYIQRBXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-5-6-12(19(9)4)8-16-14(20)7-13-10(2)17-11(3)18-15(13)21/h5-6H,7-8H2,1-4H3,(H,16,20)(H,17,18,21).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 167879268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).