6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid

C12H19N3O2 — CID 121003146

IUPAC6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)nc(N(C)CC(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-5-9-6-10(11(16)17)14-12(13-9)15(4)7-8(2)3/h6,8H,5,7H2,1-4H3,(H,16,17)
InChIKeyOFJBOZKBPWYBAU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.83
Rot. Bonds5

About 6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid

6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid (PubChem CID 121003146) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid
PubChem CID121003146
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)nc(N(C)CC(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-5-9-6-10(11(16)17)14-12(13-9)15(4)7-8(2)3/h6,8H,5,7H2,1-4H3,(H,16,17)
InChIKeyOFJBOZKBPWYBAU-UHFFFAOYSA-N
XLogP1.83
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid (CID 121003146) is 6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid is CCc1cc(C(=O)O)nc(N(C)CC(C)C)n1.
What is the InChIKey of 6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid?
The InChIKey is OFJBOZKBPWYBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-9-6-10(11(16)17)14-12(13-9)15(4)7-8(2)3/h6,8H,5,7H2,1-4H3,(H,16,17).
What are the key properties of 6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid?
6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 121003146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).