2-[(2-cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid

C10H11N3O3 — CID 148837436

IUPAC2-[(2-cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid
SMILESO=C(CC1CC1)Nc1nccc(C(=O)O)n1
InChIInChI=1S/C10H11N3O3/c14-8(5-6-1-2-6)13-10-11-4-3-7(12-10)9(15)16/h3-4,6H,1-2,5H2,(H,15,16)(H,11,12,13,14)
InChIKeyOUWGTJDHTOTEFT-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.91
Rot. Bonds4

About 2-[(2-cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid

2-[(2-cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid (PubChem CID 148837436) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-[(2-cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid
PubChem CID148837436
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-[(2-cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid
SMILESO=C(CC1CC1)Nc1nccc(C(=O)O)n1
InChIInChI=1S/C10H11N3O3/c14-8(5-6-1-2-6)13-10-11-4-3-7(12-10)9(15)16/h3-4,6H,1-2,5H2,(H,15,16)(H,11,12,13,14)
InChIKeyOUWGTJDHTOTEFT-UHFFFAOYSA-N
XLogP0.91
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Pyrimidinecarboxylic acid
CID 169306
2-Hydrazinylpyrimidine-4-carboxylic acid
CID 83672127
2-Methyl-4-pyrimidinecarboxylic acid
CID 18676097
2-Aminopyrimidine-4-carboxylic acid
CID 247194
2-Chloropyrimidine-4-carboxylic acid
CID 22135751
4-Pyrimidinecarboxylic acid, 2-bromo-
CID 72710417
2-Methoxypyrimidine-4-carboxylic acid
CID 12570285
2-(Propan-2-yl)pyrimidine-4-carboxylic acid
CID 28065127
2-Cyclopropylpyrimidine-4-carboxylic acid
CID 52374412
2-Fluoropyrimidine-4-carboxylic acid
CID 18327794
2-(Pyrrolidin-1-yl)pyrimidine-4-carboxylic acid
CID 44122248
2-(1-{[(Tert-butoxy)carbonyl]amino}cyclopropyl)pyrimidine-4-carboxylic acid
CID 139016569

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(2-cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid (CID 148837436) is 2-[(2-cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(2-cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid is O=C(CC1CC1)Nc1nccc(C(=O)O)n1.
What is the InChIKey of 2-[(2-cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid?
The InChIKey is OUWGTJDHTOTEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-8(5-6-1-2-6)13-10-11-4-3-7(12-10)9(15)16/h3-4,6H,1-2,5H2,(H,15,16)(H,11,12,13,14).
What are the key properties of 2-[(2-cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid?
2-[(2-cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 148837436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).