5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid

C14H21N3O2 — CID 113478927

IUPAC5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(NCCC2CCC2)c(C(=O)O)n1
InChIInChI=1S/C14H21N3O2/c1-9(2)13-16-8-11(12(17-13)14(18)19)15-7-6-10-4-3-5-10/h8-10,15H,3-7H2,1-2H3,(H,18,19)
InChIKeyHMQSOBKBRGFTRC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.90
Rot. Bonds6

About 5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid

5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 113478927) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID113478927
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(NCCC2CCC2)c(C(=O)O)n1
InChIInChI=1S/C14H21N3O2/c1-9(2)13-16-8-11(12(17-13)14(18)19)15-7-6-10-4-3-5-10/h8-10,15H,3-7H2,1-2H3,(H,18,19)
InChIKeyHMQSOBKBRGFTRC-UHFFFAOYSA-N
XLogP2.90
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 113478927) is 5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(NCCC2CCC2)c(C(=O)O)n1.
What is the InChIKey of 5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is HMQSOBKBRGFTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)13-16-8-11(12(17-13)14(18)19)15-7-6-10-4-3-5-10/h8-10,15H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 113478927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).