5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid

C14H21N3O2 — CID 79180616

IUPAC5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(N2CC(C)C(C)C2)c(C(=O)O)n1
InChIInChI=1S/C14H21N3O2/c1-8(2)13-15-5-11(12(16-13)14(18)19)17-6-9(3)10(4)7-17/h5,8-10H,6-7H2,1-4H3,(H,18,19)
InChIKeyUXWLYHWMPZWWAI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.39
Rot. Bonds3

About 5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid

5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 79180616) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID79180616
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(N2CC(C)C(C)C2)c(C(=O)O)n1
InChIInChI=1S/C14H21N3O2/c1-8(2)13-15-5-11(12(16-13)14(18)19)17-6-9(3)10(4)7-17/h5,8-10H,6-7H2,1-4H3,(H,18,19)
InChIKeyUXWLYHWMPZWWAI-UHFFFAOYSA-N
XLogP2.39
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 79180616) is 5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(N2CC(C)C(C)C2)c(C(=O)O)n1.
What is the InChIKey of 5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is UXWLYHWMPZWWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8(2)13-15-5-11(12(16-13)14(18)19)17-6-9(3)10(4)7-17/h5,8-10H,6-7H2,1-4H3,(H,18,19).
What are the key properties of 5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 79180616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).