2-acetamido-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid

C15H14N4O3 — CID 151476215

IUPAC2-acetamido-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
SMILESCC(=O)Nc1nc2c(c(-c3ccccc3)n1)CN(C(=O)O)C2
InChIInChI=1S/C15H14N4O3/c1-9(20)16-14-17-12-8-19(15(21)22)7-11(12)13(18-14)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,21,22)(H,16,17,18,20)
InChIKeyPLMQTNSIPLDRLX-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.10
Rot. Bonds2

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

2-acetamido-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid (PubChem CID 151476215) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-acetamido-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-acetamido-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
PubChem CID151476215
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-acetamido-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
SMILESCC(=O)Nc1nc2c(c(-c3ccccc3)n1)CN(C(=O)O)C2
InChIInChI=1S/C15H14N4O3/c1-9(20)16-14-17-12-8-19(15(21)22)7-11(12)13(18-14)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,21,22)(H,16,17,18,20)
InChIKeyPLMQTNSIPLDRLX-UHFFFAOYSA-N
XLogP2.10
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-acetamido-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid (CID 151476215) is 2-acetamido-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-acetamido-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-acetamido-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid is CC(=O)Nc1nc2c(c(-c3ccccc3)n1)CN(C(=O)O)C2.
What is the InChIKey of 2-acetamido-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid?
The InChIKey is PLMQTNSIPLDRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-9(20)16-14-17-12-8-19(15(21)22)7-11(12)13(18-14)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,21,22)(H,16,17,18,20).
What are the key properties of 2-acetamido-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid?
2-acetamido-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 151476215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).