1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid

C15H23N3O3 — CID 136792242

IUPAC1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C15H23N3O3/c1-4-6-15(14(20)21)7-5-8-18(15)11-9-12(19)17-13(16-11)10(2)3/h9-10H,4-8H2,1-3H3,(H,20,21)(H,16,17,19)
InChIKeyNCUCZXHIXGRURL-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.12
Rot. Bonds5

About 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid

1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 136792242) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID136792242
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C15H23N3O3/c1-4-6-15(14(20)21)7-5-8-18(15)11-9-12(19)17-13(16-11)10(2)3/h9-10H,4-8H2,1-3H3,(H,20,21)(H,16,17,19)
InChIKeyNCUCZXHIXGRURL-UHFFFAOYSA-N
XLogP2.12
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792241
1-(6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792245
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792246
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-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 136865961
2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 136865964
3-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880680
3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880681
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880683
3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896339
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896344
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958316

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid (CID 136792242) is 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1c1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is NCUCZXHIXGRURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-6-15(14(20)21)7-5-8-18(15)11-9-12(19)17-13(16-11)10(2)3/h9-10H,4-8H2,1-3H3,(H,20,21)(H,16,17,19).
What are the key properties of 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid?
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136792242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).