(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone

C12H16N4O — CID 121185264

IUPAC(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone
SMILESCN1CC2CN(C(=O)c3ncccn3)CC2C1
InChIInChI=1S/C12H16N4O/c1-15-5-9-7-16(8-10(9)6-15)12(17)11-13-3-2-4-14-11/h2-4,9-10H,5-8H2,1H3
InChIKeyOEENZYIPMCQBQF-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.11
Rot. Bonds1

About (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone

(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone (PubChem CID 121185264) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone
PubChem CID121185264
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone
SMILESCN1CC2CN(C(=O)c3ncccn3)CC2C1
InChIInChI=1S/C12H16N4O/c1-15-5-9-7-16(8-10(9)6-15)12(17)11-13-3-2-4-14-11/h2-4,9-10H,5-8H2,1H3
InChIKeyOEENZYIPMCQBQF-UHFFFAOYSA-N
XLogP0.11
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone?
The IUPAC name of (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone (CID 121185264) is (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone is CN1CC2CN(C(=O)c3ncccn3)CC2C1.
What is the InChIKey of (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone?
The InChIKey is OEENZYIPMCQBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-15-5-9-7-16(8-10(9)6-15)12(17)11-13-3-2-4-14-11/h2-4,9-10H,5-8H2,1H3.
What are the key properties of (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone?
(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone has a molecular weight of 232.29 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 121185264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).