5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid

C15H24N4O2 — CID 63620885

IUPAC5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCN1CCN(c2cnc(C(C)C)nc2C(=O)O)CC1C
InChIInChI=1S/C15H24N4O2/c1-5-18-6-7-19(9-11(18)4)12-8-16-14(10(2)3)17-13(12)15(20)21/h8,10-11H,5-7,9H2,1-4H3,(H,20,21)
InChIKeyPRRDGSMRBMDRGE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.83
Rot. Bonds4

About 5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid

5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 63620885) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID63620885
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCCN1CCN(c2cnc(C(C)C)nc2C(=O)O)CC1C
InChIInChI=1S/C15H24N4O2/c1-5-18-6-7-19(9-11(18)4)12-8-16-14(10(2)3)17-13(12)15(20)21/h8,10-11H,5-7,9H2,1-4H3,(H,20,21)
InChIKeyPRRDGSMRBMDRGE-UHFFFAOYSA-N
XLogP1.83
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 63620885) is 5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid is CCN1CCN(c2cnc(C(C)C)nc2C(=O)O)CC1C.
What is the InChIKey of 5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is PRRDGSMRBMDRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-18-6-7-19(9-11(18)4)12-8-16-14(10(2)3)17-13(12)15(20)21/h8,10-11H,5-7,9H2,1-4H3,(H,20,21).
What are the key properties of 5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 63620885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).