2-amino-4-methylpyrimidine-5-carboxylic acid

C6H7N3O2 — CID 3156772

IUPAC2-amino-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(N)ncc1C(=O)O
InChIInChI=1S/C6H7N3O2/c1-3-4(5(10)11)2-8-6(7)9-3/h2H,1H3,(H,10,11)(H2,7,8,9)
InChIKeyDUWNUQBBVGEJPV-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.07
Rot. Bonds1

About 2-amino-4-methylpyrimidine-5-carboxylic acid

2-amino-4-methylpyrimidine-5-carboxylic acid (PubChem CID 3156772) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-amino-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-methylpyrimidine-5-carboxylic acid
PubChem CID3156772
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name2-amino-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(N)ncc1C(=O)O
InChIInChI=1S/C6H7N3O2/c1-3-4(5(10)11)2-8-6(7)9-3/h2H,1H3,(H,10,11)(H2,7,8,9)
InChIKeyDUWNUQBBVGEJPV-UHFFFAOYSA-N
XLogP0.07
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-methylpyrimidine-5-carboxylic acid (CID 3156772) is 2-amino-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-methylpyrimidine-5-carboxylic acid is Cc1nc(N)ncc1C(=O)O.
What is the InChIKey of 2-amino-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is DUWNUQBBVGEJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-3-4(5(10)11)2-8-6(7)9-3/h2H,1H3,(H,10,11)(H2,7,8,9).
What are the key properties of 2-amino-4-methylpyrimidine-5-carboxylic acid?
2-amino-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 3156772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).