1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one

C21H21N3O2 — CID 134290818

IUPAC1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2)c(N[C@@H]2CCc3ccccc32)nc1=O
InChIInChI=1S/C21H21N3O2/c1-26-19-14-24(13-15-7-3-2-4-8-15)21(23-20(19)25)22-18-12-11-16-9-5-6-10-17(16)18/h2-10,14,18H,11-13H2,1H3,(H,22,23,25)/t18-/m1/s1
InChIKeyKEFPHMDNGILASJ-GOSISDBHSA-N
MW347.42 g/mol
LogP3.40
Rot. Bonds5

About 1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one

1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one (PubChem CID 134290818) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one
PubChem CID134290818
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2)c(N[C@@H]2CCc3ccccc32)nc1=O
InChIInChI=1S/C21H21N3O2/c1-26-19-14-24(13-15-7-3-2-4-8-15)21(23-20(19)25)22-18-12-11-16-9-5-6-10-17(16)18/h2-10,14,18H,11-13H2,1H3,(H,22,23,25)/t18-/m1/s1
InChIKeyKEFPHMDNGILASJ-GOSISDBHSA-N
XLogP3.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one with MolForge

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Related Compounds

1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one
CID 134290987
1-benzyl-2-(2-fluoro-3-methylanilino)-5-methoxypyrimidin-4-one
CID 134291629
1-benzyl-2-[(2-fluorocyclohexa-1,3-dien-1-yl)amino]-5-methoxypyrimidin-4-one
CID 134290679
1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one
CID 134290299
1-benzyl-2-[(3-chloro-2-methylphenyl)methylamino]-5-methoxypyrimidin-4-one
CID 134290212
1-benzyl-2-[5-(dihydroxyamino)-2-methylanilino]-5-methoxypyrimidin-4-one
CID 158183969
1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
CID 134290688
3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide
CID 134290313
1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
CID 134291274
1-benzyl-2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-5-methoxypyrimidin-4-one
CID 134291364
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 71549309
5-methoxy-2-(2-methylanilino)-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291142

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one?
The IUPAC name of 1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one (CID 134290818) is 1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one.
What is the SMILES notation for 1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one?
The canonical SMILES for 1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one is COc1cn(Cc2ccccc2)c(N[C@@H]2CCc3ccccc32)nc1=O.
What is the InChIKey of 1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one?
The InChIKey is KEFPHMDNGILASJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-19-14-24(13-15-7-3-2-4-8-15)21(23-20(19)25)22-18-12-11-16-9-5-6-10-17(16)18/h2-10,14,18H,11-13H2,1H3,(H,22,23,25)/t18-/m1/s1.
What are the key properties of 1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one?
1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one has a molecular weight of 347.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrimidin-4-one is sourced from PubChem (CID 134290818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).