2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid

C10H13N3O2 — CID 83833677

IUPAC2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cc(C2CC2)ncn1
InChIInChI=1S/C10H13N3O2/c1-13(5-10(14)15)9-4-8(7-2-3-7)11-6-12-9/h4,6-7H,2-3,5H2,1H3,(H,14,15)
InChIKeyLLSTUXKCULOLBT-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.87
Rot. Bonds4

About 2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid

2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid (PubChem CID 83833677) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid
PubChem CID83833677
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cc(C2CC2)ncn1
InChIInChI=1S/C10H13N3O2/c1-13(5-10(14)15)9-4-8(7-2-3-7)11-6-12-9/h4,6-7H,2-3,5H2,1H3,(H,14,15)
InChIKeyLLSTUXKCULOLBT-UHFFFAOYSA-N
XLogP0.87
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid (CID 83833677) is 2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid is CN(CC(=O)O)c1cc(C2CC2)ncn1.
What is the InChIKey of 2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid?
The InChIKey is LLSTUXKCULOLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-13(5-10(14)15)9-4-8(7-2-3-7)11-6-12-9/h4,6-7H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid?
2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid has a molecular weight of 207.23 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 83833677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).