6-(2-methylpropyl)-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione

C16H19N3O2 — CID 17460697

IUPAC6-(2-methylpropyl)-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCC(C)CN1CC2=C(C1=O)C(c1ccccc1)NC(=O)N2
InChIInChI=1S/C16H19N3O2/c1-10(2)8-19-9-12-13(15(19)20)14(18-16(21)17-12)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H2,17,18,21)
InChIKeyDMCXBFGUGSBXBA-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.79
Rot. Bonds3

About 6-(2-methylpropyl)-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione

6-(2-methylpropyl)-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 17460697) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name6-(2-methylpropyl)-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID17460697
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-(2-methylpropyl)-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCC(C)CN1CC2=C(C1=O)C(c1ccccc1)NC(=O)N2
InChIInChI=1S/C16H19N3O2/c1-10(2)8-19-9-12-13(15(19)20)14(18-16(21)17-12)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H2,17,18,21)
InChIKeyDMCXBFGUGSBXBA-UHFFFAOYSA-N
XLogP1.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 6-(2-methylpropyl)-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione (CID 17460697) is 6-(2-methylpropyl)-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 6-(2-methylpropyl)-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 6-(2-methylpropyl)-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione is CC(C)CN1CC2=C(C1=O)C(c1ccccc1)NC(=O)N2.
What is the InChIKey of 6-(2-methylpropyl)-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is DMCXBFGUGSBXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(2)8-19-9-12-13(15(19)20)14(18-16(21)17-12)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H2,17,18,21).
What are the key properties of 6-(2-methylpropyl)-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione?
6-(2-methylpropyl)-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 285.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 17460697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).