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

C12H16N4O3 — CID 121121187

IUPACN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cncn(CCNC(=O)C2CCC(=O)N2)c1=O
InChIInChI=1S/C12H16N4O3/c1-8-6-13-7-16(12(8)19)5-4-14-11(18)9-2-3-10(17)15-9/h6-7,9H,2-5H2,1H3,(H,14,18)(H,15,17)
InChIKeyWAAZCZCRXOAVOO-UHFFFAOYSA-N
MW264.28 g/mol
LogP-1.05
Rot. Bonds4

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

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 121121187) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID121121187
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cncn(CCNC(=O)C2CCC(=O)N2)c1=O
InChIInChI=1S/C12H16N4O3/c1-8-6-13-7-16(12(8)19)5-4-14-11(18)9-2-3-10(17)15-9/h6-7,9H,2-5H2,1H3,(H,14,18)(H,15,17)
InChIKeyWAAZCZCRXOAVOO-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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Related Compounds

N-cyclopentyl-2-(5-methyl-6-oxopyrimidin-1-yl)acetamide
CID 56764424
(4R)-4-amino-N,N-diethyl-1-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-prolinamide
CID 56713154
(4S)-4-amino-N,N-diethyl-1-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-prolinamide
CID 56721658
(4S)-4-amino-N,N-diethyl-1-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-L-prolinamide
CID 56722262
(4R)-4-amino-N,N-diethyl-1-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-L-prolinamide
CID 56747328
(2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 70752051
N-{(3R,5S)-1-cyclopentyl-5-[(diethylamino)carbonyl]pyrrolidin-3-yl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide (non-preferred name)
CID 72924790
N-{(3R,5S)-5-[(diethylamino)carbonyl]-1-isobutylpyrrolidin-3-yl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 72928562
N-(2-(4-methyl-6-oxopyrimidin-1(6H)-yl)ethyl)-5-oxopyrrolidine-2-carboxamide
CID 121119275
N-(2-(4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)ethyl)-5-oxopyrrolidine-2-carboxamide
CID 121120788
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-(5-methyl-6-oxopyrimidin-1(6H)-yl)ethyl)acetamide
CID 121121255
5-Methyl-3-[(pyrrolidin-2-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 126857626

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 121121187) is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is Cc1cncn(CCNC(=O)C2CCC(=O)N2)c1=O.
What is the InChIKey of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WAAZCZCRXOAVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-6-13-7-16(12(8)19)5-4-14-11(18)9-2-3-10(17)15-9/h6-7,9H,2-5H2,1H3,(H,14,18)(H,15,17).
What are the key properties of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(5-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-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 121121187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).