2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid

C7H11N3O2 — CID 141179572

IUPAC2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid
SMILESCN(C)C1(C(=O)O)N=CC=CN1
InChIInChI=1S/C7H11N3O2/c1-10(2)7(6(11)12)8-4-3-5-9-7/h3-5,8H,1-2H3,(H,11,12)
InChIKeyXFTQOGLNXYGQRO-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.53
Rot. Bonds2

About 2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid

2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid (PubChem CID 141179572) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid
PubChem CID141179572
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid
SMILESCN(C)C1(C(=O)O)N=CC=CN1
InChIInChI=1S/C7H11N3O2/c1-10(2)7(6(11)12)8-4-3-5-9-7/h3-5,8H,1-2H3,(H,11,12)
InChIKeyXFTQOGLNXYGQRO-UHFFFAOYSA-N
XLogP-0.53
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid (CID 141179572) is 2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid is CN(C)C1(C(=O)O)N=CC=CN1.
What is the InChIKey of 2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid?
The InChIKey is XFTQOGLNXYGQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10(2)7(6(11)12)8-4-3-5-9-7/h3-5,8H,1-2H3,(H,11,12).
What are the key properties of 2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid?
2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1H-pyrimidine-2-carboxylic acid is sourced from PubChem (CID 141179572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).