5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid

C15H22N4O2 — CID 62086332

IUPAC5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(N2CCN(C3CC3)CC2)c(C(=O)O)n1
InChIInChI=1S/C15H22N4O2/c1-10(2)14-16-9-12(13(17-14)15(20)21)19-7-5-18(6-8-19)11-3-4-11/h9-11H,3-8H2,1-2H3,(H,20,21)
InChIKeyNWHAWQOTXPPROO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.58
Rot. Bonds4

About 5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid

5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62086332) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62086332
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(N2CCN(C3CC3)CC2)c(C(=O)O)n1
InChIInChI=1S/C15H22N4O2/c1-10(2)14-16-9-12(13(17-14)15(20)21)19-7-5-18(6-8-19)11-3-4-11/h9-11H,3-8H2,1-2H3,(H,20,21)
InChIKeyNWHAWQOTXPPROO-UHFFFAOYSA-N
XLogP1.58
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62086332) is 5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(N2CCN(C3CC3)CC2)c(C(=O)O)n1.
What is the InChIKey of 5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is NWHAWQOTXPPROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)14-16-9-12(13(17-14)15(20)21)19-7-5-18(6-8-19)11-3-4-11/h9-11H,3-8H2,1-2H3,(H,20,21).
What are the key properties of 5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62086332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).