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N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

C12H16N4O3 — CID 121119275

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(=O)n(CCNC(=O)C2CCC(=O)N2)cn1
InChIInChI=1S/C12H16N4O3/c1-8-6-11(18)16(7-14-8)5-4-13-12(19)9-2-3-10(17)15-9/h6-7,9H,2-5H2,1H3,(H,13,19)(H,15,17)
InChIKeyZKZCNVBYZHFYAJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP-1.05
Rot. Bonds4

About N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 121119275) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID121119275
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(=O)n(CCNC(=O)C2CCC(=O)N2)cn1
InChIInChI=1S/C12H16N4O3/c1-8-6-11(18)16(7-14-8)5-4-13-12(19)9-2-3-10(17)15-9/h6-7,9H,2-5H2,1H3,(H,13,19)(H,15,17)
InChIKeyZKZCNVBYZHFYAJ-UHFFFAOYSA-N
XLogP-1.05
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 121119275) is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is Cc1cc(=O)n(CCNC(=O)C2CCC(=O)N2)cn1.
What is the InChIKey of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZKZCNVBYZHFYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-6-11(18)16(7-14-8)5-4-13-12(19)9-2-3-10(17)15-9/h6-7,9H,2-5H2,1H3,(H,13,19)(H,15,17).
What are the key properties of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 264.28 g/mol, XLogP of -1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 121119275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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