6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione

C29H29N5O3 — CID 34646186

IUPAC6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione
SMILESNc1c(N(CC(=O)N2CCCc3ccccc32)Cc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C29H29N5O3/c30-27-26(28(36)31-29(37)34(27)19-22-12-5-2-6-13-22)32(18-21-10-3-1-4-11-21)20-25(35)33-17-9-15-23-14-7-8-16-24(23)33/h1-8,10-14,16H,9,15,17-20,30H2,(H,31,36,37)
InChIKeyXWXYGFHOHZWMOW-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.15
Rot. Bonds7

About 6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione

6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione (PubChem CID 34646186) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione
PubChem CID34646186
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC Name6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione
SMILESNc1c(N(CC(=O)N2CCCc3ccccc32)Cc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C29H29N5O3/c30-27-26(28(36)31-29(37)34(27)19-22-12-5-2-6-13-22)32(18-21-10-3-1-4-11-21)20-25(35)33-17-9-15-23-14-7-8-16-24(23)33/h1-8,10-14,16H,9,15,17-20,30H2,(H,31,36,37)
InChIKeyXWXYGFHOHZWMOW-UHFFFAOYSA-N
XLogP3.15
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione
CID 34646419
6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione
CID 34646156
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclopropanecarboxamide
CID 26069674
6-amino-5-[[2-(azepan-1-yl)-2-oxoethyl]-(3-methoxypropyl)amino]-1-benzylpyrimidine-2,4-dione
CID 46527785
N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 8004672
2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 18088269
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-chlorophenyl)methyl-methylamino]-N-methylacetamide
CID 4848050
6-amino-5-[benzyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]-1-butylpyrimidine-2,4-dione
CID 30871138
2-benzylsulfinyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 123099535
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]ethanone
CID 68964307
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide
CID 4791103

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione (CID 34646186) is 6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione is Nc1c(N(CC(=O)N2CCCc3ccccc32)Cc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione?
The InChIKey is XWXYGFHOHZWMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c30-27-26(28(36)31-29(37)34(27)19-22-12-5-2-6-13-22)32(18-21-10-3-1-4-11-21)20-25(35)33-17-9-15-23-14-7-8-16-24(23)33/h1-8,10-14,16H,9,15,17-20,30H2,(H,31,36,37).
What are the key properties of 6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione?
6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione has a molecular weight of 495.58 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 34646186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).