(2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

C13H18N4O2 — CID 164633585

IUPAC(2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cnc(CCNC(=O)[C@@H]2CCC(=O)N2C)nc1
InChIInChI=1S/C13H18N4O2/c1-9-7-15-11(16-8-9)5-6-14-13(19)10-3-4-12(18)17(10)2/h7-8,10H,3-6H2,1-2H3,(H,14,19)/t10-/m0/s1
InChIKeyUCIKUTUQRSBJGL-JTQLQIEISA-N
MW262.31 g/mol
LogP0.06
Rot. Bonds4

About (2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

(2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 164633585) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID164633585
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cnc(CCNC(=O)[C@@H]2CCC(=O)N2C)nc1
InChIInChI=1S/C13H18N4O2/c1-9-7-15-11(16-8-9)5-6-14-13(19)10-3-4-12(18)17(10)2/h7-8,10H,3-6H2,1-2H3,(H,14,19)/t10-/m0/s1
InChIKeyUCIKUTUQRSBJGL-JTQLQIEISA-N
XLogP0.06
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 164633585) is (2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is Cc1cnc(CCNC(=O)[C@@H]2CCC(=O)N2C)nc1.
What is the InChIKey of (2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UCIKUTUQRSBJGL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-7-15-11(16-8-9)5-6-14-13(19)10-3-4-12(18)17(10)2/h7-8,10H,3-6H2,1-2H3,(H,14,19)/t10-/m0/s1.
What are the key properties of (2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 164633585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).