N-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C11H18N4O3 — CID 91794706

IUPACN-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCNCCN(C)C(=O)Cc1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-12-4-5-14(2)9(16)6-8-7-13-11(18)15(3)10(8)17/h7,12H,4-6H2,1-3H3,(H,13,18)
InChIKeyUSNDWIPLQQJHCR-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.71
Rot. Bonds5

About N-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 91794706) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID91794706
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCNCCN(C)C(=O)Cc1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-12-4-5-14(2)9(16)6-8-7-13-11(18)15(3)10(8)17/h7,12H,4-6H2,1-3H3,(H,13,18)
InChIKeyUSNDWIPLQQJHCR-UHFFFAOYSA-N
XLogP-1.71
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 91794706) is N-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is CNCCN(C)C(=O)Cc1c[nH]c(=O)n(C)c1=O.
What is the InChIKey of N-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is USNDWIPLQQJHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-12-4-5-14(2)9(16)6-8-7-13-11(18)15(3)10(8)17/h7,12H,4-6H2,1-3H3,(H,13,18).
What are the key properties of N-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 254.29 g/mol, XLogP of -1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91794706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).