7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C14H19N3O3 — CID 115974159

IUPAC7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(C)Oc1ccnc(N2C3CCC2C(C(=O)O)C3)n1
InChIInChI=1S/C14H19N3O3/c1-8(2)20-12-5-6-15-14(16-12)17-9-3-4-11(17)10(7-9)13(18)19/h5-6,8-11H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyHOBDLMAURWQVMW-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.71
Rot. Bonds4

About 7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 115974159) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID115974159
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(C)Oc1ccnc(N2C3CCC2C(C(=O)O)C3)n1
InChIInChI=1S/C14H19N3O3/c1-8(2)20-12-5-6-15-14(16-12)17-9-3-4-11(17)10(7-9)13(18)19/h5-6,8-11H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyHOBDLMAURWQVMW-UHFFFAOYSA-N
XLogP1.71
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 115974159) is 7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is CC(C)Oc1ccnc(N2C3CCC2C(C(=O)O)C3)n1.
What is the InChIKey of 7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is HOBDLMAURWQVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8(2)20-12-5-6-15-14(16-12)17-9-3-4-11(17)10(7-9)13(18)19/h5-6,8-11H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 115974159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).