N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C14H22N4O3 — CID 45280809

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCCN1CCCC1CNC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O3/c1-3-17-6-4-5-11(17)7-15-12(19)9-18-8-10(2)13(20)16-14(18)21/h8,11H,3-7,9H2,1-2H3,(H,15,19)(H,16,20,21)
InChIKeyRSHCLOSQBHMTAZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.55
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 45280809) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID45280809
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCCN1CCCC1CNC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O3/c1-3-17-6-4-5-11(17)7-15-12(19)9-18-8-10(2)13(20)16-14(18)21/h8,11H,3-7,9H2,1-2H3,(H,15,19)(H,16,20,21)
InChIKeyRSHCLOSQBHMTAZ-UHFFFAOYSA-N
XLogP-0.55
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 45280809) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is CCN1CCCC1CNC(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is RSHCLOSQBHMTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-17-6-4-5-11(17)7-15-12(19)9-18-8-10(2)13(20)16-14(18)21/h8,11H,3-7,9H2,1-2H3,(H,15,19)(H,16,20,21).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 294.35 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 45280809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).