2-(cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid

C9H9N3O3 — CID 67509336

IUPAC2-(cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC(=O)C2CC2)n1
InChIInChI=1S/C9H9N3O3/c13-7(5-1-2-5)12-9-10-4-3-6(11-9)8(14)15/h3-5H,1-2H2,(H,14,15)(H,10,11,12,13)
InChIKeySCBNHHZURFRVCO-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.52
Rot. Bonds3

About 2-(cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid

2-(cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid (PubChem CID 67509336) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid
PubChem CID67509336
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2-(cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC(=O)C2CC2)n1
InChIInChI=1S/C9H9N3O3/c13-7(5-1-2-5)12-9-10-4-3-6(11-9)8(14)15/h3-5H,1-2H2,(H,14,15)(H,10,11,12,13)
InChIKeySCBNHHZURFRVCO-UHFFFAOYSA-N
XLogP0.52
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid (CID 67509336) is 2-(cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(NC(=O)C2CC2)n1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid?
The InChIKey is SCBNHHZURFRVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c13-7(5-1-2-5)12-9-10-4-3-6(11-9)8(14)15/h3-5H,1-2H2,(H,14,15)(H,10,11,12,13).
What are the key properties of 2-(cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid?
2-(cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 67509336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).