7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

C21H20F2N4O2 — CID 139421475

IUPAC7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCOc1ccc(Nc2nc(=O)c(C)c3n2C(c2cc(F)cc(F)c2)CC3)c(C)n1
InChIInChI=1S/C21H20F2N4O2/c1-11-17-5-6-18(13-8-14(22)10-15(23)9-13)27(17)21(26-20(11)28)25-16-4-7-19(29-3)24-12(16)2/h4,7-10,18H,5-6H2,1-3H3,(H,25,26,28)
InChIKeyHONPFNKKNKAAAB-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.82
Rot. Bonds4

About 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (PubChem CID 139421475) 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-methyl-3-pyridinyl)amino]-4-methyl-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]-4-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
PubChem CID139421475
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCOc1ccc(Nc2nc(=O)c(C)c3n2C(c2cc(F)cc(F)c2)CC3)c(C)n1
InChIInChI=1S/C21H20F2N4O2/c1-11-17-5-6-18(13-8-14(22)10-15(23)9-13)27(17)21(26-20(11)28)25-16-4-7-19(29-3)24-12(16)2/h4,7-10,18H,5-6H2,1-3H3,(H,25,26,28)
InChIKeyHONPFNKKNKAAAB-UHFFFAOYSA-N
XLogP3.82
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[[6-(Difluoromethoxy)-2,5-dimethylpyridin-3-yl]amino]-5-fluoro-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134290226
1-[(3,5-Difluorophenyl)methyl]-5-fluoro-2-[(6-fluoro-5-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-one
CID 134290902
1-[(3,5-Difluorophenyl)methyl]-5-fluoro-2-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrimidin-4-one
CID 134290932
1-[(3-Chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrimidin-4-one
CID 134291048
5-Fluoro-2-[(6-fluoro-5-methoxy-2-methyl-3-pyridinyl)amino]-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291159
3-[(6-Methoxy-2-methyl-3-pyridinyl)amino]-6-methyl-2-[(3,4,5-trifluorophenyl)methyl]-1,2,4-triazin-5-one
CID 134291270
5-Fluoro-2-[(6-methoxy-2-methyl-3-pyridinyl)amino]-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291397
1-[(3,4-Difluorophenyl)methyl]-5-fluoro-2-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrimidin-4-one
CID 134291409
1-[(3,5-Difluorophenyl)methyl]-5-fluoro-2-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-one
CID 134291491
1-[(3,4-Difluorophenyl)methyl]-5-fluoro-2-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-one
CID 134291509
2-[(5,6-Dimethoxy-2-methyl-3-pyridinyl)amino]-5-fluoro-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291551
2-[[6-(Difluoromethoxy)-2,5-dimethylpyridin-3-yl]amino]-1-[(3,5-difluorophenyl)methyl]-5-fluoropyrimidin-4-one
CID 134291594

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-methyl-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]-4-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (CID 139421475) is 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-methyl-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]-4-methyl-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]-4-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is COc1ccc(Nc2nc(=O)c(C)c3n2C(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]-4-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The InChIKey is HONPFNKKNKAAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-11-17-5-6-18(13-8-14(22)10-15(23)9-13)27(17)21(26-20(11)28)25-16-4-7-19(29-3)24-12(16)2/h4,7-10,18H,5-6H2,1-3H3,(H,25,26,28).
What are the key properties of 7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-methyl-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-methyl-3-pyridinyl)amino]-4-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 139421475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).