2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetic acid

C10H12N2O3 — CID 83820398

IUPAC2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetic acid
SMILESCOc1nc(C2CC2)ncc1CC(=O)O
InChIInChI=1S/C10H12N2O3/c1-15-10-7(4-8(13)14)5-11-9(12-10)6-2-3-6/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeySTCSTVWEIKXDJO-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.99
Rot. Bonds4

About 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetic acid

2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetic acid (PubChem CID 83820398) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetic acid
PubChem CID83820398
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetic acid
SMILESCOc1nc(C2CC2)ncc1CC(=O)O
InChIInChI=1S/C10H12N2O3/c1-15-10-7(4-8(13)14)5-11-9(12-10)6-2-3-6/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeySTCSTVWEIKXDJO-UHFFFAOYSA-N
XLogP0.99
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetic acid (CID 83820398) is 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetic acid is COc1nc(C2CC2)ncc1CC(=O)O.
What is the InChIKey of 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetic acid?
The InChIKey is STCSTVWEIKXDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-10-7(4-8(13)14)5-11-9(12-10)6-2-3-6/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetic acid?
2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetic acid has a molecular weight of 208.22 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetic acid is sourced from PubChem (CID 83820398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).