6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid

C10H13N3O2 — CID 83916553

IUPAC6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid
SMILESCC(C)N1Cc2ncnc(C(=O)O)c2C1
InChIInChI=1S/C10H13N3O2/c1-6(2)13-3-7-8(4-13)11-5-12-9(7)10(14)15/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyTVCUAIPVFJHUTM-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.90
Rot. Bonds2

About 6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid

6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid (PubChem CID 83916553) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid
PubChem CID83916553
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid
SMILESCC(C)N1Cc2ncnc(C(=O)O)c2C1
InChIInChI=1S/C10H13N3O2/c1-6(2)13-3-7-8(4-13)11-5-12-9(7)10(14)15/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyTVCUAIPVFJHUTM-UHFFFAOYSA-N
XLogP0.90
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid (CID 83916553) is 6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid is CC(C)N1Cc2ncnc(C(=O)O)c2C1.
What is the InChIKey of 6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid?
The InChIKey is TVCUAIPVFJHUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6(2)13-3-7-8(4-13)11-5-12-9(7)10(14)15/h5-6H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid?
6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83916553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).