6-propan-2-ylpyrimidine-4-carboxylic acid

C8H10N2O2 — CID 83815903

IUPAC6-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)ncn1
InChIInChI=1S/C8H10N2O2/c1-5(2)6-3-7(8(11)12)10-4-9-6/h3-5H,1-2H3,(H,11,12)
InChIKeyBKEUDWOONLGNQR-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.30
Rot. Bonds2

About 6-propan-2-ylpyrimidine-4-carboxylic acid

6-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 83815903) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 6-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID83815903
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name6-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)ncn1
InChIInChI=1S/C8H10N2O2/c1-5(2)6-3-7(8(11)12)10-4-9-6/h3-5H,1-2H3,(H,11,12)
InChIKeyBKEUDWOONLGNQR-UHFFFAOYSA-N
XLogP1.30
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-propan-2-ylpyrimidine-4-carboxylic acid (CID 83815903) is 6-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1cc(C(=O)O)ncn1.
What is the InChIKey of 6-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is BKEUDWOONLGNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5(2)6-3-7(8(11)12)10-4-9-6/h3-5H,1-2H3,(H,11,12).
What are the key properties of 6-propan-2-ylpyrimidine-4-carboxylic acid?
6-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83815903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).