2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide

C36H38F2N6O5 — CID 159220890

IUPAC2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide
SMILESCOc1cccc(C2(Cc3ncc(C(=O)CN)cn3)CC2)c1.COc1cccc(C2(Cc3ncc(C(=O)CNC(=O)C(F)F)cn3)CC2)c1
InChIInChI=1S/C19H19F2N3O3.C17H19N3O2/c1-27-14-4-2-3-13(7-14)19(5-6-19)8-16-22-9-12(10-23-16)15(25)11-24-18(26)17(20)21;1-22-14-4-2-3-13(7-14)17(5-6-17)8-16-19-10-12(11-20-16)15(21)9-18/h2-4,7,9-10,17H,5-6,8,11H2,1H3,(H,24,26);2-4,7,10-11H,5-6,8-9,18H2,1H3
InChIKeyKRQYMLRCMNRAKD-UHFFFAOYSA-N
MW672.73 g/mol
LogP4.22
Rot. Bonds14

About 2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide

2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide (PubChem CID 159220890) has the molecular formula C36H38F2N6O5 and a molecular weight of 672.73 g/mol. Its IUPAC name is 2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide
PubChem CID159220890
Molecular FormulaC36H38F2N6O5
Molecular Weight672.73 g/mol
Exact Mass672.29
IUPAC Name2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide
SMILESCOc1cccc(C2(Cc3ncc(C(=O)CN)cn3)CC2)c1.COc1cccc(C2(Cc3ncc(C(=O)CNC(=O)C(F)F)cn3)CC2)c1
InChIInChI=1S/C19H19F2N3O3.C17H19N3O2/c1-27-14-4-2-3-13(7-14)19(5-6-19)8-16-22-9-12(10-23-16)15(25)11-24-18(26)17(20)21;1-22-14-4-2-3-13(7-14)17(5-6-17)8-16-19-10-12(11-20-16)15(21)9-18/h2-4,7,9-10,17H,5-6,8,11H2,1H3,(H,24,26);2-4,7,10-11H,5-6,8-9,18H2,1H3
InChIKeyKRQYMLRCMNRAKD-UHFFFAOYSA-N
XLogP4.22
TPSA159.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.73
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide 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-amino-1-[2-[[1-(3-methoxyphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone
CID 159014425
2-amino-1-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethyl]acetamide
CID 160891675
2-amino-1-[2-[[1-[3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]cyclobutyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-[3-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide
CID 160943041
2-amino-1-[2-[[1-(5-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone;N-[2-[2-[[1-(5-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2-difluoroacetamide
CID 162203534
N-[2-[2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2-difluoroacetamide
CID 159031367
2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone
CID 157226916
2-amino-1-[2-[[1-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]cyclobutyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide
CID 159502063
N-[2-[2-[[1-(5-chloro-2-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2-difluoroacetamide
CID 158160997
2-amino-1-[2-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone;2,2,2-trifluoro-N-[2-[2-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide
CID 160601199
2-amino-1-[2-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone
CID 157198296
2,2,2-trifluoro-N-[2-[2-[[1-(4-fluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide
CID 159975321
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-methoxyphenyl)methanesulfonamide;2,2-difluoro-N-[2-[3-fluoro-4-[(3-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide
CID 161109242

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide (CID 159220890) is 2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide is COc1cccc(C2(Cc3ncc(C(=O)CN)cn3)CC2)c1.COc1cccc(C2(Cc3ncc(C(=O)CNC(=O)C(F)F)cn3)CC2)c1.
What is the InChIKey of 2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide?
The InChIKey is KRQYMLRCMNRAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3.C17H19N3O2/c1-27-14-4-2-3-13(7-14)19(5-6-19)8-16-22-9-12(10-23-16)15(25)11-24-18(26)17(20)21;1-22-14-4-2-3-13(7-14)17(5-6-17)8-16-19-10-12(11-20-16)15(21)9-18/h2-4,7,9-10,17H,5-6,8,11H2,1H3,(H,24,26);2-4,7,10-11H,5-6,8-9,18H2,1H3.
What are the key properties of 2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide?
2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide has a molecular weight of 672.73 g/mol, XLogP of 4.22, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-[2-[[1-(3-methoxyphenyl)cyclopropyl]methyl]pyrimidin-5-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 159220890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).