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

C15H21N5O2 — CID 136662014

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
SMILESCc1nc(C)c(CC(=O)NCc2nccn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H21N5O2/c1-9(2)20-6-5-16-13(20)8-17-14(21)7-12-10(3)18-11(4)19-15(12)22/h5-6,9H,7-8H2,1-4H3,(H,17,21)(H,18,19,22)
InChIKeyZSSOJMJFMQUZNJ-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.02
Rot. Bonds5

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

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide (PubChem CID 136662014) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
PubChem CID136662014
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
SMILESCc1nc(C)c(CC(=O)NCc2nccn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H21N5O2/c1-9(2)20-6-5-16-13(20)8-17-14(21)7-12-10(3)18-11(4)19-15(12)22/h5-6,9H,7-8H2,1-4H3,(H,17,21)(H,18,19,22)
InChIKeyZSSOJMJFMQUZNJ-UHFFFAOYSA-N
XLogP1.02
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-propan-2-ylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide (CID 136662014) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide is Cc1nc(C)c(CC(=O)NCc2nccn2C(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide?
The InChIKey is ZSSOJMJFMQUZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9(2)20-6-5-16-13(20)8-17-14(21)7-12-10(3)18-11(4)19-15(12)22/h5-6,9H,7-8H2,1-4H3,(H,17,21)(H,18,19,22).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide has a molecular weight of 303.37 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 136662014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).