2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone

C18H21N3O — CID 157226916

IUPAC2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone
SMILESCc1cccc(C2(Cc3ncc(C(=O)CN)cn3)CCC2)c1
InChIInChI=1S/C18H21N3O/c1-13-4-2-5-15(8-13)18(6-3-7-18)9-17-20-11-14(12-21-17)16(22)10-19/h2,4-5,8,11-12H,3,6-7,9-10,19H2,1H3
InChIKeySWAZCZJIHBPTRW-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.59
Rot. Bonds5

About 2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone

2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone (PubChem CID 157226916) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone
PubChem CID157226916
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone
SMILESCc1cccc(C2(Cc3ncc(C(=O)CN)cn3)CCC2)c1
InChIInChI=1S/C18H21N3O/c1-13-4-2-5-15(8-13)18(6-3-7-18)9-17-20-11-14(12-21-17)16(22)10-19/h2,4-5,8,11-12H,3,6-7,9-10,19H2,1H3
InChIKeySWAZCZJIHBPTRW-UHFFFAOYSA-N
XLogP2.59
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[2-[[1-(3-methoxyphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone
CID 159014425
2-amino-1-[2-[[1-(3,4-dichlorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone
CID 157198296
2-amino-1-[2-[[1-(3,4-difluorophenyl)cyclopropyl]methyl]pyrimidin-5-yl]ethanone
CID 157269751
2-amino-1-[2-[[1-(2-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone;ethyl 2-[[1-(2-methylphenyl)cyclobutyl]methyl]pyrimidine-5-carboxylate
CID 160810535
1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]propan-1-one;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone
CID 159930346
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-(4-chlorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone;N-[2-[2-[[1-(4-chlorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-2-oxoethyl]-2,2-difluoroacetamide
CID 160979887
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-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
ethyl 2-[[1-(1,3-benzodioxol-5-yl)cyclobutyl]methyl]pyrimidine-5-carboxylate
CID 158684057
1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]-2-hydroxyethanone;1-[2-[2-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-5-yl]propan-1-one;1-[2-[(1-phenylcyclopropyl)methyl]pyrimidin-5-yl]propan-1-one
CID 158733032
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone?
The IUPAC name of 2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone (CID 157226916) is 2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone is Cc1cccc(C2(Cc3ncc(C(=O)CN)cn3)CCC2)c1.
What is the InChIKey of 2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone?
The InChIKey is SWAZCZJIHBPTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-4-2-5-15(8-13)18(6-3-7-18)9-17-20-11-14(12-21-17)16(22)10-19/h2,4-5,8,11-12H,3,6-7,9-10,19H2,1H3.
What are the key properties of 2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone?
2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone has a molecular weight of 295.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 157226916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).