[2-(2-amino-6-methylpyrimidin-4-yl)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

C20H29N7O2 — CID 138385988

About [2-(2-amino-6-methylpyrimidin-4-yl)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

[2-(2-amino-6-methylpyrimidin-4-yl)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 138385988) has the molecular formula C20H29N7O2 and a molecular weight of 399.50 g/mol. Its IUPAC name is [2-(2-amino-6-methylpyrimidin-4-yl)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

• Compound Name: [2-(2-amino-6-methylpyrimidin-4-yl)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
• PubChem CID: 138385988
• Molecular Formula: C20H29N7O2
• Molecular Weight: 399.50 g/mol
• Exact Mass: 399.24
• IUPAC Name: [2-(2-amino-6-methylpyrimidin-4-yl)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
• SMILES: Cc1cc(N2CC3CN(C(=O)c4c(C)noc4C)CC3(CN(C)C)C2)nc(N)n1
• InChI: InChI=1S/C20H29N7O2/c1-12-6-16(23-19(21)22-12)26-7-15-8-27(11-20(15,10-26)9-25(4)5)18(28)17-13(2)24-29-14(17)3/h6,15H,7-11H2,1-5H3,(H2,21,22,23)
• InChIKey: ZSCPQKQOYVPFMN-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 104.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.50
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-6-methylpyrimidin-4-yl)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?

The IUPAC name of [2-(2-amino-6-methylpyrimidin-4-yl)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 138385988) is [2-(2-amino-6-methylpyrimidin-4-yl)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

What is the SMILES notation for [2-(2-amino-6-methylpyrimidin-4-yl)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?

The canonical SMILES for [2-(2-amino-6-methylpyrimidin-4-yl)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1cc(N2CC3CN(C(=O)c4c(C)noc4C)CC3(CN(C)C)C2)nc(N)n1.

What is the InChIKey of [2-(2-amino-6-methylpyrimidin-4-yl)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?

The InChIKey is ZSCPQKQOYVPFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O2/c1-12-6-16(23-19(21)22-12)26-7-15-8-27(11-20(15,10-26)9-25(4)5)18(28)17-13(2)24-29-14(17)3/h6,15H,7-11H2,1-5H3,(H2,21,22,23).

What are the key properties of [2-(2-amino-6-methylpyrimidin-4-yl)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?

[2-(2-amino-6-methylpyrimidin-4-yl)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 399.50 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-amino-6-methylpyrimidin-4-yl)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 138385988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).