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

C11H15N3O4 — CID 115354736

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCOc1cc(OC)nc(N2CCC(C(=O)O)C2)n1
InChIInChI=1S/C11H15N3O4/c1-17-8-5-9(18-2)13-11(12-8)14-4-3-7(6-14)10(15)16/h5,7H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyDBFNPZRQFKXAJC-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.40
Rot. Bonds4

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

1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 115354736) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID115354736
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCOc1cc(OC)nc(N2CCC(C(=O)O)C2)n1
InChIInChI=1S/C11H15N3O4/c1-17-8-5-9(18-2)13-11(12-8)14-4-3-7(6-14)10(15)16/h5,7H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyDBFNPZRQFKXAJC-UHFFFAOYSA-N
XLogP0.40
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 112634329
2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine
CID 115355746
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048519
(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
CID 136582876
1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
CID 113293006
1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627918
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carbaldehyde
CID 115355577
(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 115355317
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 171324316
4,6-dimethoxy-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 96913861
2-[4-(chloromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 113293068

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid (CID 115354736) is 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid is COc1cc(OC)nc(N2CCC(C(=O)O)C2)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is DBFNPZRQFKXAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-8-5-9(18-2)13-11(12-8)14-4-3-7(6-14)10(15)16/h5,7H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid?
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115354736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).