6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid

C10H15N3O2 — CID 84676918

IUPAC6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid
SMILESCc1nc(N)c(C(C)(C)C)c(C(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-5-12-7(9(14)15)6(8(11)13-5)10(2,3)4/h1-4H3,(H,14,15)(H2,11,12,13)
InChIKeyMCOPZYDTVGIHPK-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.36
Rot. Bonds1

About 6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid

6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid (PubChem CID 84676918) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid
PubChem CID84676918
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid
SMILESCc1nc(N)c(C(C)(C)C)c(C(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-5-12-7(9(14)15)6(8(11)13-5)10(2,3)4/h1-4H3,(H,14,15)(H2,11,12,13)
InChIKeyMCOPZYDTVGIHPK-UHFFFAOYSA-N
XLogP1.36
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid (CID 84676918) is 6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid is Cc1nc(N)c(C(C)(C)C)c(C(=O)O)n1.
What is the InChIKey of 6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid?
The InChIKey is MCOPZYDTVGIHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-5-12-7(9(14)15)6(8(11)13-5)10(2,3)4/h1-4H3,(H,14,15)(H2,11,12,13).
What are the key properties of 6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid?
6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-tert-butyl-2-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 84676918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).