5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid

C14H22N4O2 — CID 63539546

IUPAC5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(N2CCC(N(C)C)C2)c(C(=O)O)n1
InChIInChI=1S/C14H22N4O2/c1-9(2)13-15-7-11(12(16-13)14(19)20)18-6-5-10(8-18)17(3)4/h7,9-10H,5-6,8H2,1-4H3,(H,19,20)
InChIKeyIPHUEOBNYDAZMU-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.44
Rot. Bonds4

About 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid

5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 63539546) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID63539546
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(N2CCC(N(C)C)C2)c(C(=O)O)n1
InChIInChI=1S/C14H22N4O2/c1-9(2)13-15-7-11(12(16-13)14(19)20)18-6-5-10(8-18)17(3)4/h7,9-10H,5-6,8H2,1-4H3,(H,19,20)
InChIKeyIPHUEOBNYDAZMU-UHFFFAOYSA-N
XLogP1.44
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 63539546) is 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(N2CCC(N(C)C)C2)c(C(=O)O)n1.
What is the InChIKey of 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is IPHUEOBNYDAZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(2)13-15-7-11(12(16-13)14(19)20)18-6-5-10(8-18)17(3)4/h7,9-10H,5-6,8H2,1-4H3,(H,19,20).
What are the key properties of 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 63539546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).