2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide

C11H16N4O2 — CID 136697580

IUPAC2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide
SMILESCc1nc([C@@H]2CCCN2CC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c1-7-13-8(5-11(17)14-7)9-3-2-4-15(9)6-10(12)16/h5,9H,2-4,6H2,1H3,(H2,12,16)(H,13,14,17)/t9-/m0/s1
InChIKeyITTRSXIFBOPQKA-VIFPVBQESA-N
MW236.27 g/mol
LogP-0.30
Rot. Bonds3

About 2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide

2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide (PubChem CID 136697580) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide
PubChem CID136697580
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide
SMILESCc1nc([C@@H]2CCCN2CC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c1-7-13-8(5-11(17)14-7)9-3-2-4-15(9)6-10(12)16/h5,9H,2-4,6H2,1H3,(H2,12,16)(H,13,14,17)/t9-/m0/s1
InChIKeyITTRSXIFBOPQKA-VIFPVBQESA-N
XLogP-0.30
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide (CID 136697580) is 2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide is Cc1nc([C@@H]2CCCN2CC(N)=O)cc(=O)[nH]1.
What is the InChIKey of 2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is ITTRSXIFBOPQKA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-13-8(5-11(17)14-7)9-3-2-4-15(9)6-10(12)16/h5,9H,2-4,6H2,1H3,(H2,12,16)(H,13,14,17)/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide?
2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 236.27 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 136697580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).