2-[acetyl(methyl)amino]-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide

C13H16N6O2 — CID 71789895

IUPAC2-[acetyl(methyl)amino]-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCC(=O)N(C)CC(=O)Nc1cnc(-n2ccnc2C)nc1
InChIInChI=1S/C13H16N6O2/c1-9-14-4-5-19(9)13-15-6-11(7-16-13)17-12(21)8-18(3)10(2)20/h4-7H,8H2,1-3H3,(H,17,21)
InChIKeySYHUCJLEWKOOTD-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.39
Rot. Bonds4

About 2-[acetyl(methyl)amino]-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide

2-[acetyl(methyl)amino]-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 71789895) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
PubChem CID71789895
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name2-[acetyl(methyl)amino]-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCC(=O)N(C)CC(=O)Nc1cnc(-n2ccnc2C)nc1
InChIInChI=1S/C13H16N6O2/c1-9-14-4-5-19(9)13-15-6-11(7-16-13)17-12(21)8-18(3)10(2)20/h4-7H,8H2,1-3H3,(H,17,21)
InChIKeySYHUCJLEWKOOTD-UHFFFAOYSA-N
XLogP0.39
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide (CID 71789895) is 2-[acetyl(methyl)amino]-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide is CC(=O)N(C)CC(=O)Nc1cnc(-n2ccnc2C)nc1.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is SYHUCJLEWKOOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-9-14-4-5-19(9)13-15-6-11(7-16-13)17-12(21)8-18(3)10(2)20/h4-7H,8H2,1-3H3,(H,17,21).
What are the key properties of 2-[acetyl(methyl)amino]-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide?
2-[acetyl(methyl)amino]-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 288.31 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 71789895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).