4-chloro-2-propan-2-ylfuro[3,2-d]pyrimidine-6-carboxylic acid

C10H9ClN2O3 — CID 84702125

IUPAC4-chloro-2-propan-2-ylfuro[3,2-d]pyrimidine-6-carboxylic acid
SMILESCC(C)c1nc(Cl)c2oc(C(=O)O)cc2n1
InChIInChI=1S/C10H9ClN2O3/c1-4(2)9-12-5-3-6(10(14)15)16-7(5)8(11)13-9/h3-4H,1-2H3,(H,14,15)
InChIKeyDWGLDANRMJUYEW-UHFFFAOYSA-N
MW240.65 g/mol
LogP2.70
Rot. Bonds2

About 4-chloro-2-propan-2-ylfuro[3,2-d]pyrimidine-6-carboxylic acid

4-chloro-2-propan-2-ylfuro[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 84702125) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 4-chloro-2-propan-2-ylfuro[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-propan-2-ylfuro[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID84702125
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name4-chloro-2-propan-2-ylfuro[3,2-d]pyrimidine-6-carboxylic acid
SMILESCC(C)c1nc(Cl)c2oc(C(=O)O)cc2n1
InChIInChI=1S/C10H9ClN2O3/c1-4(2)9-12-5-3-6(10(14)15)16-7(5)8(11)13-9/h3-4H,1-2H3,(H,14,15)
InChIKeyDWGLDANRMJUYEW-UHFFFAOYSA-N
XLogP2.70
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-ylfuro[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-chloro-2-propan-2-ylfuro[3,2-d]pyrimidine-6-carboxylic acid (CID 84702125) is 4-chloro-2-propan-2-ylfuro[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-chloro-2-propan-2-ylfuro[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-chloro-2-propan-2-ylfuro[3,2-d]pyrimidine-6-carboxylic acid is CC(C)c1nc(Cl)c2oc(C(=O)O)cc2n1.
What is the InChIKey of 4-chloro-2-propan-2-ylfuro[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is DWGLDANRMJUYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c1-4(2)9-12-5-3-6(10(14)15)16-7(5)8(11)13-9/h3-4H,1-2H3,(H,14,15).
What are the key properties of 4-chloro-2-propan-2-ylfuro[3,2-d]pyrimidine-6-carboxylic acid?
4-chloro-2-propan-2-ylfuro[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 240.65 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-ylfuro[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 84702125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).