2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid

C11H15N3O2 — CID 83838273

IUPAC2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(Nc1cc(C2CC2)ncn1)C(=O)O
InChIInChI=1S/C11H15N3O2/c1-11(2,10(15)16)14-9-5-8(7-3-4-7)12-6-13-9/h5-7H,3-4H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyQJOPTUYZBHZNHV-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.63
Rot. Bonds4

About 2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid

2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid (PubChem CID 83838273) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid
PubChem CID83838273
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(Nc1cc(C2CC2)ncn1)C(=O)O
InChIInChI=1S/C11H15N3O2/c1-11(2,10(15)16)14-9-5-8(7-3-4-7)12-6-13-9/h5-7H,3-4H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyQJOPTUYZBHZNHV-UHFFFAOYSA-N
XLogP1.63
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid (CID 83838273) is 2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid is CC(C)(Nc1cc(C2CC2)ncn1)C(=O)O.
What is the InChIKey of 2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid?
The InChIKey is QJOPTUYZBHZNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(2,10(15)16)14-9-5-8(7-3-4-7)12-6-13-9/h5-7H,3-4H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid?
2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclopropylpyrimidin-4-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 83838273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).