4-(oxolan-2-ylmethylamino)-2-propan-2-ylpyrimidine-5-carboxylic acid

C13H19N3O3 — CID 59625359

IUPAC4-(oxolan-2-ylmethylamino)-2-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCC(C)c1ncc(C(=O)O)c(NCC2CCCO2)n1
InChIInChI=1S/C13H19N3O3/c1-8(2)11-15-7-10(13(17)18)12(16-11)14-6-9-4-3-5-19-9/h7-9H,3-6H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyCKQUCFKKCRLROU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.89
Rot. Bonds5

About 4-(oxolan-2-ylmethylamino)-2-propan-2-ylpyrimidine-5-carboxylic acid

4-(oxolan-2-ylmethylamino)-2-propan-2-ylpyrimidine-5-carboxylic acid (PubChem CID 59625359) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylamino)-2-propan-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylamino)-2-propan-2-ylpyrimidine-5-carboxylic acid
PubChem CID59625359
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-(oxolan-2-ylmethylamino)-2-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCC(C)c1ncc(C(=O)O)c(NCC2CCCO2)n1
InChIInChI=1S/C13H19N3O3/c1-8(2)11-15-7-10(13(17)18)12(16-11)14-6-9-4-3-5-19-9/h7-9H,3-6H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyCKQUCFKKCRLROU-UHFFFAOYSA-N
XLogP1.89
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylamino)-2-propan-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(oxolan-2-ylmethylamino)-2-propan-2-ylpyrimidine-5-carboxylic acid (CID 59625359) is 4-(oxolan-2-ylmethylamino)-2-propan-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(oxolan-2-ylmethylamino)-2-propan-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(oxolan-2-ylmethylamino)-2-propan-2-ylpyrimidine-5-carboxylic acid is CC(C)c1ncc(C(=O)O)c(NCC2CCCO2)n1.
What is the InChIKey of 4-(oxolan-2-ylmethylamino)-2-propan-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is CKQUCFKKCRLROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)11-15-7-10(13(17)18)12(16-11)14-6-9-4-3-5-19-9/h7-9H,3-6H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-(oxolan-2-ylmethylamino)-2-propan-2-ylpyrimidine-5-carboxylic acid?
4-(oxolan-2-ylmethylamino)-2-propan-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylamino)-2-propan-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 59625359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).