2-amino-2H-pyrimidine-1-carboxylic acid

C5H7N3O2 — CID 68547370

IUPAC2-amino-2H-pyrimidine-1-carboxylic acid
SMILESNC1N=CC=CN1C(=O)O
InChIInChI=1S/C5H7N3O2/c6-4-7-2-1-3-8(4)5(9)10/h1-4H,6H2,(H,9,10)
InChIKeyNVFOEVQWMXJUHU-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.19
Rot. Bonds

About 2-amino-2H-pyrimidine-1-carboxylic acid

2-amino-2H-pyrimidine-1-carboxylic acid (PubChem CID 68547370) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-amino-2H-pyrimidine-1-carboxylic acid.

Molecular Properties

Compound Name2-amino-2H-pyrimidine-1-carboxylic acid
PubChem CID68547370
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2-amino-2H-pyrimidine-1-carboxylic acid
SMILESNC1N=CC=CN1C(=O)O
InChIInChI=1S/C5H7N3O2/c6-4-7-2-1-3-8(4)5(9)10/h1-4H,6H2,(H,9,10)
InChIKeyNVFOEVQWMXJUHU-UHFFFAOYSA-N
XLogP-0.19
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2H-pyrimidine-1-carboxylic acid?
The IUPAC name of 2-amino-2H-pyrimidine-1-carboxylic acid (CID 68547370) is 2-amino-2H-pyrimidine-1-carboxylic acid.
What is the SMILES notation for 2-amino-2H-pyrimidine-1-carboxylic acid?
The canonical SMILES for 2-amino-2H-pyrimidine-1-carboxylic acid is NC1N=CC=CN1C(=O)O.
What is the InChIKey of 2-amino-2H-pyrimidine-1-carboxylic acid?
The InChIKey is NVFOEVQWMXJUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-4-7-2-1-3-8(4)5(9)10/h1-4H,6H2,(H,9,10).
What are the key properties of 2-amino-2H-pyrimidine-1-carboxylic acid?
2-amino-2H-pyrimidine-1-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2H-pyrimidine-1-carboxylic acid is sourced from PubChem (CID 68547370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).