2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid

C9H11N3O2 — CID 116975310

IUPAC2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid
SMILESCc1cnc(NC2CC2C(=O)O)nc1
InChIInChI=1S/C9H11N3O2/c1-5-3-10-9(11-4-5)12-7-2-6(7)8(13)14/h3-4,6-7H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyORCLUWAXTQDCSZ-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.67
Rot. Bonds3

About 2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid

2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid (PubChem CID 116975310) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid
PubChem CID116975310
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid
SMILESCc1cnc(NC2CC2C(=O)O)nc1
InChIInChI=1S/C9H11N3O2/c1-5-3-10-9(11-4-5)12-7-2-6(7)8(13)14/h3-4,6-7H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyORCLUWAXTQDCSZ-UHFFFAOYSA-N
XLogP0.67
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid (CID 116975310) is 2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid is Cc1cnc(NC2CC2C(=O)O)nc1.
What is the InChIKey of 2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is ORCLUWAXTQDCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-5-3-10-9(11-4-5)12-7-2-6(7)8(13)14/h3-4,6-7H,2H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid?
2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116975310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).