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

C13H18N4O3 — CID 121119666

IUPACN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)C2CCC(=O)N2)cn1
InChIInChI=1S/C13H18N4O3/c1-2-9-7-12(19)17(8-15-9)6-5-14-13(20)10-3-4-11(18)16-10/h7-8,10H,2-6H2,1H3,(H,14,20)(H,16,18)
InChIKeyBWZJFWKBFDMDTN-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.80
Rot. Bonds5

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

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 121119666) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID121119666
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)C2CCC(=O)N2)cn1
InChIInChI=1S/C13H18N4O3/c1-2-9-7-12(19)17(8-15-9)6-5-14-13(20)10-3-4-11(18)16-10/h7-8,10H,2-6H2,1H3,(H,14,20)(H,16,18)
InChIKeyBWZJFWKBFDMDTN-UHFFFAOYSA-N
XLogP-0.80
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 121119666) is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is CCc1cc(=O)n(CCNC(=O)C2CCC(=O)N2)cn1.
What is the InChIKey of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BWZJFWKBFDMDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-2-9-7-12(19)17(8-15-9)6-5-14-13(20)10-3-4-11(18)16-10/h7-8,10H,2-6H2,1H3,(H,14,20)(H,16,18).
What are the key properties of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 121119666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).