1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid

C14H22N4O2 — CID 64829459

IUPAC1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C14H22N4O2/c1-4-6-14(12(19)20)7-9-18(10-14)11-5-8-15-13(16-11)17(2)3/h5,8H,4,6-7,9-10H2,1-3H3,(H,19,20)
InChIKeyAXSFHJXTGWDXEX-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.62
Rot. Bonds5

About 1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid

1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 64829459) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID64829459
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ccnc(N(C)C)n2)C1
InChIInChI=1S/C14H22N4O2/c1-4-6-14(12(19)20)7-9-18(10-14)11-5-8-15-13(16-11)17(2)3/h5,8H,4,6-7,9-10H2,1-3H3,(H,19,20)
InChIKeyAXSFHJXTGWDXEX-UHFFFAOYSA-N
XLogP1.62
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid (CID 64829459) is 1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(c2ccnc(N(C)C)n2)C1.
What is the InChIKey of 1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is AXSFHJXTGWDXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-6-14(12(19)20)7-9-18(10-14)11-5-8-15-13(16-11)17(2)3/h5,8H,4,6-7,9-10H2,1-3H3,(H,19,20).
What are the key properties of 1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid?
1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64829459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).