2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid

C8H11N3O2 — CID 826981

IUPAC2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(N(C)C)ncc1C(=O)O
InChIInChI=1S/C8H11N3O2/c1-5-6(7(12)13)4-9-8(10-5)11(2)3/h4H,1-3H3,(H,12,13)
InChIKeyVPJJRVRVZCLDGF-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.55
Rot. Bonds2

About 2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid

2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 826981) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid
PubChem CID826981
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(N(C)C)ncc1C(=O)O
InChIInChI=1S/C8H11N3O2/c1-5-6(7(12)13)4-9-8(10-5)11(2)3/h4H,1-3H3,(H,12,13)
InChIKeyVPJJRVRVZCLDGF-UHFFFAOYSA-N
XLogP0.55
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid (CID 826981) is 2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid is Cc1nc(N(C)C)ncc1C(=O)O.
What is the InChIKey of 2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is VPJJRVRVZCLDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-6(7(12)13)4-9-8(10-5)11(2)3/h4H,1-3H3,(H,12,13).
What are the key properties of 2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid?
2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 826981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).