N-methyl-2-[methyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]amino]acetamide

C11H18N4O3 — CID 91842553

IUPACN-methyl-2-[methyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]amino]acetamide
SMILESCNC(=O)CN(C)CCn1c(=O)cc(C)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-8-6-10(17)15(11(18)13-8)5-4-14(3)7-9(16)12-2/h6H,4-5,7H2,1-3H3,(H,12,16)(H,13,18)
InChIKeyKAOZGKOPJHZXER-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.48
Rot. Bonds5

About N-methyl-2-[methyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]amino]acetamide

N-methyl-2-[methyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]amino]acetamide (PubChem CID 91842553) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-methyl-2-[methyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]amino]acetamide
PubChem CID91842553
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-methyl-2-[methyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]amino]acetamide
SMILESCNC(=O)CN(C)CCn1c(=O)cc(C)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-8-6-10(17)15(11(18)13-8)5-4-14(3)7-9(16)12-2/h6H,4-5,7H2,1-3H3,(H,12,16)(H,13,18)
InChIKeyKAOZGKOPJHZXER-UHFFFAOYSA-N
XLogP-1.48
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 ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]amino]acetamide?
The IUPAC name of N-methyl-2-[methyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]amino]acetamide (CID 91842553) is N-methyl-2-[methyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]amino]acetamide?
The canonical SMILES for N-methyl-2-[methyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]amino]acetamide is CNC(=O)CN(C)CCn1c(=O)cc(C)[nH]c1=O.
What is the InChIKey of N-methyl-2-[methyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]amino]acetamide?
The InChIKey is KAOZGKOPJHZXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8-6-10(17)15(11(18)13-8)5-4-14(3)7-9(16)12-2/h6H,4-5,7H2,1-3H3,(H,12,16)(H,13,18).
What are the key properties of N-methyl-2-[methyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]amino]acetamide?
N-methyl-2-[methyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]amino]acetamide has a molecular weight of 254.29 g/mol, XLogP of -1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]amino]acetamide is sourced from PubChem (CID 91842553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).