3-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]propanoic acid

C11H15N3O2 — CID 84686707

IUPAC3-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]propanoic acid
SMILESCc1nc(NC2CC2)ncc1CCC(=O)O
InChIInChI=1S/C11H15N3O2/c1-7-8(2-5-10(15)16)6-12-11(13-7)14-9-3-4-9/h6,9H,2-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyROVLLYDHSDRBOW-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.38
Rot. Bonds5

About 3-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]propanoic acid

3-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]propanoic acid (PubChem CID 84686707) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]propanoic acid
PubChem CID84686707
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]propanoic acid
SMILESCc1nc(NC2CC2)ncc1CCC(=O)O
InChIInChI=1S/C11H15N3O2/c1-7-8(2-5-10(15)16)6-12-11(13-7)14-9-3-4-9/h6,9H,2-5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyROVLLYDHSDRBOW-UHFFFAOYSA-N
XLogP1.38
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]propanoic acid (CID 84686707) is 3-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]propanoic acid is Cc1nc(NC2CC2)ncc1CCC(=O)O.
What is the InChIKey of 3-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]propanoic acid?
The InChIKey is ROVLLYDHSDRBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-8(2-5-10(15)16)6-12-11(13-7)14-9-3-4-9/h6,9H,2-5H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 3-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]propanoic acid?
3-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]propanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 84686707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).