2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide

C12H15N5O4 — CID 137343230

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N(CCO)Cc1ncc[nH]1
InChIInChI=1S/C12H15N5O4/c18-6-5-16(7-9-13-2-3-14-9)11(20)8-17-4-1-10(19)15-12(17)21/h1-4,18H,5-8H2,(H,13,14)(H,15,19,21)
InChIKeyVBAKYBVGKKFZPP-UHFFFAOYSA-N
MW293.28 g/mol
LogP-1.72
Rot. Bonds6

About 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide (PubChem CID 137343230) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide
PubChem CID137343230
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N(CCO)Cc1ncc[nH]1
InChIInChI=1S/C12H15N5O4/c18-6-5-16(7-9-13-2-3-14-9)11(20)8-17-4-1-10(19)15-12(17)21/h1-4,18H,5-8H2,(H,13,14)(H,15,19,21)
InChIKeyVBAKYBVGKKFZPP-UHFFFAOYSA-N
XLogP-1.72
TPSA124.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide (CID 137343230) is 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)N(CCO)Cc1ncc[nH]1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide?
The InChIKey is VBAKYBVGKKFZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c18-6-5-16(7-9-13-2-3-14-9)11(20)8-17-4-1-10(19)15-12(17)21/h1-4,18H,5-8H2,(H,13,14)(H,15,19,21).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide has a molecular weight of 293.28 g/mol, XLogP of -1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide is sourced from PubChem (CID 137343230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).