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

C20H18F2N4O2 — CID 139421360

IUPAC7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCOc1ccc(Nc2nc(=O)cc3n2C(c2cc(F)cc(F)c2)CC3)c(C)n1
InChIInChI=1S/C20H18F2N4O2/c1-11-16(4-6-19(23-11)28-2)24-20-25-18(27)10-15-3-5-17(26(15)20)12-7-13(21)9-14(22)8-12/h4,6-10,17H,3,5H2,1-2H3,(H,24,25,27)
InChIKeyLZRUKFREKWEPIX-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.51
Rot. Bonds4

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

7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (PubChem CID 139421360) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
PubChem CID139421360
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCOc1ccc(Nc2nc(=O)cc3n2C(c2cc(F)cc(F)c2)CC3)c(C)n1
InChIInChI=1S/C20H18F2N4O2/c1-11-16(4-6-19(23-11)28-2)24-20-25-18(27)10-15-3-5-17(26(15)20)12-7-13(21)9-14(22)8-12/h4,6-10,17H,3,5H2,1-2H3,(H,24,25,27)
InChIKeyLZRUKFREKWEPIX-UHFFFAOYSA-N
XLogP3.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-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-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (CID 139421360) is 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-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-methyl-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-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is COc1ccc(Nc2nc(=O)cc3n2C(c2cc(F)cc(F)c2)CC3)c(C)n1.
What is the InChIKey of 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The InChIKey is LZRUKFREKWEPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-11-16(4-6-19(23-11)28-2)24-20-25-18(27)10-15-3-5-17(26(15)20)12-7-13(21)9-14(22)8-12/h4,6-10,17H,3,5H2,1-2H3,(H,24,25,27).
What are the key properties of 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one has a molecular weight of 384.39 g/mol, XLogP of 3.51, 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-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 139421360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).