N-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide

C12H17N3O3 — CID 63810760

IUPACN-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide
SMILESCCn1ccc(=O)n(CC(=O)N(C)C2CC2)c1=O
InChIInChI=1S/C12H17N3O3/c1-3-14-7-6-10(16)15(12(14)18)8-11(17)13(2)9-4-5-9/h6-7,9H,3-5,8H2,1-2H3
InChIKeyLNHJMKGERQFDCT-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.35
Rot. Bonds4

About N-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide

N-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 63810760) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide
PubChem CID63810760
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide
SMILESCCn1ccc(=O)n(CC(=O)N(C)C2CC2)c1=O
InChIInChI=1S/C12H17N3O3/c1-3-14-7-6-10(16)15(12(14)18)8-11(17)13(2)9-4-5-9/h6-7,9H,3-5,8H2,1-2H3
InChIKeyLNHJMKGERQFDCT-UHFFFAOYSA-N
XLogP-0.35
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-methyl-2-(4-oxo-1-pyridinyl)acetamide
CID 116622149
N-cyclohexyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide
CID 16577165
2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63811876
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442893
4-(3-ethyl-2,6-dioxopyrimidin-1-yl)-3-methylbut-2-enoic acid
CID 78951349
N-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide
CID 116618964
2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide
CID 66407506
2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 60735082
2-(2-cyanopyrrol-1-yl)-N-cyclopropyl-N-methylacetamide
CID 114653142
N-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115593407
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid
CID 61489506
N,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 60697740

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide (CID 63810760) is N-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide is CCn1ccc(=O)n(CC(=O)N(C)C2CC2)c1=O.
What is the InChIKey of N-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is LNHJMKGERQFDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-14-7-6-10(16)15(12(14)18)8-11(17)13(2)9-4-5-9/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide?
N-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 251.29 g/mol, XLogP of -0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 63810760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).