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

C8H11N3O2 — CID 23423586

IUPAC4-(dimethylamino)-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(N(C)C)n1
InChIInChI=1S/C8H11N3O2/c1-5-9-4-6(8(12)13)7(10-5)11(2)3/h4H,1-3H3,(H,12,13)
InChIKeyOVXVCMVJJWYHMF-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.55
Rot. Bonds2

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

4-(dimethylamino)-2-methylpyrimidine-5-carboxylic acid (PubChem CID 23423586) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2-methylpyrimidine-5-carboxylic acid
PubChem CID23423586
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-(dimethylamino)-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(N(C)C)n1
InChIInChI=1S/C8H11N3O2/c1-5-9-4-6(8(12)13)7(10-5)11(2)3/h4H,1-3H3,(H,12,13)
InChIKeyOVXVCMVJJWYHMF-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 4-(dimethylamino)-2-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(dimethylamino)-2-methylpyrimidine-5-carboxylic acid (CID 23423586) is 4-(dimethylamino)-2-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(dimethylamino)-2-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(dimethylamino)-2-methylpyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(N(C)C)n1.
What is the InChIKey of 4-(dimethylamino)-2-methylpyrimidine-5-carboxylic acid?
The InChIKey is OVXVCMVJJWYHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-9-4-6(8(12)13)7(10-5)11(2)3/h4H,1-3H3,(H,12,13).
What are the key properties of 4-(dimethylamino)-2-methylpyrimidine-5-carboxylic acid?
4-(dimethylamino)-2-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 4-(dimethylamino)-2-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 23423586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).