3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid

C11H15N3O2 — CID 91368528

IUPAC3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
SMILESCc1cc(C)nc(C2CCN(C(=O)O)C2)n1
InChIInChI=1S/C11H15N3O2/c1-7-5-8(2)13-10(12-7)9-3-4-14(6-9)11(15)16/h5,9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyHTSJUDUBNUBXST-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.56
Rot. Bonds1

About 3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid

3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid (PubChem CID 91368528) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
PubChem CID91368528
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
SMILESCc1cc(C)nc(C2CCN(C(=O)O)C2)n1
InChIInChI=1S/C11H15N3O2/c1-7-5-8(2)13-10(12-7)9-3-4-14(6-9)11(15)16/h5,9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyHTSJUDUBNUBXST-UHFFFAOYSA-N
XLogP1.56
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95829883
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110259293
N-[2-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 95829909
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 125024614
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95829780
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 95846146
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 175652473
cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95842373
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 124975903
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 124953187
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 110259339

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid (CID 91368528) is 3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid is Cc1cc(C)nc(C2CCN(C(=O)O)C2)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is HTSJUDUBNUBXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-5-8(2)13-10(12-7)9-3-4-14(6-9)11(15)16/h5,9H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid?
3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 91368528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).