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

C10H15N3O2 — CID 10727114

IUPAC2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCC(C)c1nc(N(C)C)ncc1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-6(2)8-7(9(14)15)5-11-10(12-8)13(3)4/h5-6H,1-4H3,(H,14,15)
InChIKeyBMLJLJGAUJYFIU-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.36
Rot. Bonds3

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

2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid (PubChem CID 10727114) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid
PubChem CID10727114
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCC(C)c1nc(N(C)C)ncc1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-6(2)8-7(9(14)15)5-11-10(12-8)13(3)4/h5-6H,1-4H3,(H,14,15)
InChIKeyBMLJLJGAUJYFIU-UHFFFAOYSA-N
XLogP1.36
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid (CID 10727114) is 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid is CC(C)c1nc(N(C)C)ncc1C(=O)O.
What is the InChIKey of 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is BMLJLJGAUJYFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(2)8-7(9(14)15)5-11-10(12-8)13(3)4/h5-6H,1-4H3,(H,14,15).
What are the key properties of 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid?
2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-propan-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 10727114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).