4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C11H15N3O3 — CID 136958918

IUPAC4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nc(N2CC(C)C(C(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-6-4-14(5-8(6)11(16)17)9-3-10(15)13-7(2)12-9/h3,6,8H,4-5H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyIVWAVOBRMJIOPI-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.24
Rot. Bonds2

About 4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 136958918) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID136958918
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nc(N2CC(C)C(C(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-6-4-14(5-8(6)11(16)17)9-3-10(15)13-7(2)12-9/h3,6,8H,4-5H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyIVWAVOBRMJIOPI-UHFFFAOYSA-N
XLogP0.24
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136954404
4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136677207
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842971
7-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 137015852
2-methyl-2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]propanoic acid
CID 136972363
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136957825
2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-1H-pyrimidin-6-one
CID 136957833
4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 137015803
4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958092
2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 136865958
2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136957819

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 136958918) is 4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is Cc1nc(N2CC(C)C(C(=O)O)C2)cc(=O)[nH]1.
What is the InChIKey of 4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is IVWAVOBRMJIOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6-4-14(5-8(6)11(16)17)9-3-10(15)13-7(2)12-9/h3,6,8H,4-5H2,1-2H3,(H,16,17)(H,12,13,15).
What are the key properties of 4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136958918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).