N,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide

C11H17N3O3 — CID 60697740

IUPACN,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C11H17N3O3/c1-4-13(5-2)10(16)8-14-9(15)6-7-12(3)11(14)17/h6-7H,4-5,8H2,1-3H3
InChIKeySFUUKYLHOSJYPW-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.58
Rot. Bonds4

About N,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide

N,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide (PubChem CID 60697740) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide
PubChem CID60697740
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C11H17N3O3/c1-4-13(5-2)10(16)8-14-9(15)6-7-12(3)11(14)17/h6-7H,4-5,8H2,1-3H3
InChIKeySFUUKYLHOSJYPW-UHFFFAOYSA-N
XLogP-0.58
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide (CID 60697740) is N,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide is CCN(CC)C(=O)Cn1c(=O)ccn(C)c1=O.
What is the InChIKey of N,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide?
The InChIKey is SFUUKYLHOSJYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-13(5-2)10(16)8-14-9(15)6-7-12(3)11(14)17/h6-7H,4-5,8H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide?
N,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide has a molecular weight of 239.27 g/mol, XLogP of -0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 60697740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).