2-(methylamino)pyrimidine-5-carboxylic acid

C6H7N3O2 — CID 6504222

IUPAC2-(methylamino)pyrimidine-5-carboxylic acid
SMILESCNc1ncc(C(=O)O)cn1
InChIInChI=1S/C6H7N3O2/c1-7-6-8-2-4(3-9-6)5(10)11/h2-3H,1H3,(H,10,11)(H,7,8,9)
InChIKeyDWWXWTKPKXGUDC-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.22
Rot. Bonds2

About 2-(methylamino)pyrimidine-5-carboxylic acid

2-(methylamino)pyrimidine-5-carboxylic acid (PubChem CID 6504222) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-(methylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(methylamino)pyrimidine-5-carboxylic acid
PubChem CID6504222
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name2-(methylamino)pyrimidine-5-carboxylic acid
SMILESCNc1ncc(C(=O)O)cn1
InChIInChI=1S/C6H7N3O2/c1-7-6-8-2-4(3-9-6)5(10)11/h2-3H,1H3,(H,10,11)(H,7,8,9)
InChIKeyDWWXWTKPKXGUDC-UHFFFAOYSA-N
XLogP0.22
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(methylamino)pyrimidine-5-carboxylic acid (CID 6504222) is 2-(methylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(methylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(methylamino)pyrimidine-5-carboxylic acid is CNc1ncc(C(=O)O)cn1.
What is the InChIKey of 2-(methylamino)pyrimidine-5-carboxylic acid?
The InChIKey is DWWXWTKPKXGUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-7-6-8-2-4(3-9-6)5(10)11/h2-3H,1H3,(H,10,11)(H,7,8,9).
What are the key properties of 2-(methylamino)pyrimidine-5-carboxylic acid?
2-(methylamino)pyrimidine-5-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 6504222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).