N-(2-hydroxypropyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C11H17N3O4 — CID 62334436

IUPACN-(2-hydroxypropyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(O)CN(C)C(=O)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O4/c1-8(15)6-12(2)10(17)7-14-5-4-9(16)13(3)11(14)18/h4-5,8,15H,6-7H2,1-3H3
InChIKeyQSYKMFYJCLKQFF-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.61
Rot. Bonds4

About N-(2-hydroxypropyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-(2-hydroxypropyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 62334436) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID62334436
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-(2-hydroxypropyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(O)CN(C)C(=O)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O4/c1-8(15)6-12(2)10(17)7-14-5-4-9(16)13(3)11(14)18/h4-5,8,15H,6-7H2,1-3H3
InChIKeyQSYKMFYJCLKQFF-UHFFFAOYSA-N
XLogP-1.61
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 62334436) is N-(2-hydroxypropyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is CC(O)CN(C)C(=O)Cn1ccc(=O)n(C)c1=O.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is QSYKMFYJCLKQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-8(15)6-12(2)10(17)7-14-5-4-9(16)13(3)11(14)18/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(2-hydroxypropyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 255.27 g/mol, XLogP of -1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 62334436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).