7-(3,5-difluorophenyl)-1-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

C21H20F2N4O2 — CID 142331807

About 7-(3,5-difluorophenyl)-1-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

7-(3,5-difluorophenyl)-1-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (PubChem CID 142331807) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-1-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.

Molecular Properties

• Compound Name: 7-(3,5-difluorophenyl)-1-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
• PubChem CID: 142331807
• Molecular Formula: C21H20F2N4O2
• Molecular Weight: 398.41 g/mol
• Exact Mass: 398.16
• IUPAC Name: 7-(3,5-difluorophenyl)-1-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
• SMILES: COc1nc(C)c(Nc2nc(=O)cc3n2C(c2cc(F)cc(F)c2)CC3)cc1C
• InChI: InChI=1S/C21H20F2N4O2/c1-11-6-17(12(2)24-20(11)29-3)25-21-26-19(28)10-16-4-5-18(27(16)21)13-7-14(22)9-15(23)8-13/h6-10,18H,4-5H2,1-3H3,(H,25,26,28)
• InChIKey: DPDLOIGJIYOKKP-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.41
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-1-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?

The IUPAC name of 7-(3,5-difluorophenyl)-1-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (CID 142331807) is 7-(3,5-difluorophenyl)-1-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.

What is the SMILES notation for 7-(3,5-difluorophenyl)-1-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?

The canonical SMILES for 7-(3,5-difluorophenyl)-1-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is COc1nc(C)c(Nc2nc(=O)cc3n2C(c2cc(F)cc(F)c2)CC3)cc1C.

What is the InChIKey of 7-(3,5-difluorophenyl)-1-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?

The InChIKey is DPDLOIGJIYOKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-11-6-17(12(2)24-20(11)29-3)25-21-26-19(28)10-16-4-5-18(27(16)21)13-7-14(22)9-15(23)8-13/h6-10,18H,4-5H2,1-3H3,(H,25,26,28).

What are the key properties of 7-(3,5-difluorophenyl)-1-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?

7-(3,5-difluorophenyl)-1-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one has a molecular weight of 398.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,5-difluorophenyl)-1-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 142331807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).