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

C13H13N3O2 — CID 10490410

IUPAC2-(dimethylamino)-4-phenylpyrimidine-5-carboxylic acid
SMILESCN(C)c1ncc(C(=O)O)c(-c2ccccc2)n1
InChIInChI=1S/C13H13N3O2/c1-16(2)13-14-8-10(12(17)18)11(15-13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,18)
InChIKeyDDLMFPAHKWDAQB-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.91
Rot. Bonds3

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

2-(dimethylamino)-4-phenylpyrimidine-5-carboxylic acid (PubChem CID 10490410) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-4-phenylpyrimidine-5-carboxylic acid
PubChem CID10490410
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-(dimethylamino)-4-phenylpyrimidine-5-carboxylic acid
SMILESCN(C)c1ncc(C(=O)O)c(-c2ccccc2)n1
InChIInChI=1S/C13H13N3O2/c1-16(2)13-14-8-10(12(17)18)11(15-13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,18)
InChIKeyDDLMFPAHKWDAQB-UHFFFAOYSA-N
XLogP1.91
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylic acid (CID 10490410) is 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylic acid is CN(C)c1ncc(C(=O)O)c(-c2ccccc2)n1.
What is the InChIKey of 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylic acid?
The InChIKey is DDLMFPAHKWDAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16(2)13-14-8-10(12(17)18)11(15-13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylic acid?
2-(dimethylamino)-4-phenylpyrimidine-5-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-phenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 10490410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).