6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione

C21H28N4O3 — CID 2105210

IUPAC6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCCC[C@H]2C)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C21H28N4O3/c1-3-24-20(27)18(17(26)14-23-12-8-7-9-15(23)2)19(22)25(21(24)28)13-16-10-5-4-6-11-16/h4-6,10-11,15H,3,7-9,12-14,22H2,1-2H3/t15-/m1/s1
InChIKeyTZAASZZRBZMDSB-OAHLLOKOSA-N
MW384.48 g/mol
LogP1.72
Rot. Bonds6

About 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione

6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione (PubChem CID 2105210) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione
PubChem CID2105210
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCCC[C@H]2C)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C21H28N4O3/c1-3-24-20(27)18(17(26)14-23-12-8-7-9-15(23)2)19(22)25(21(24)28)13-16-10-5-4-6-11-16/h4-6,10-11,15H,3,7-9,12-14,22H2,1-2H3/t15-/m1/s1
InChIKeyTZAASZZRBZMDSB-OAHLLOKOSA-N
XLogP1.72
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 26006311
6-amino-1-benzyl-5-[2-(4-benzylpiperazin-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione
CID 2091532
6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 169167939
(2R)-1-[2-[4-amino-1-ethyl-3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 169167858
[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-cyclooctylazanium
CID 9265608
6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide
CID 169167959
6-amino-5-[2-[(2R)-2-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 169167799
6-amino-1-benzyl-5-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]-3-ethylpyrimidine-2,4-dione
CID 8931097
6-amino-1-benzyl-3-ethyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
CID 2685172
6-amino-5-[2-[2-[amino(hydroxy)methyl]piperidin-1-yl]acetyl]-1,3-bis[(4-methylphenyl)methyl]pyrimidine-2,4-dione
CID 170196961
(2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 169168003
6-amino-1-benzyl-5-[2-(benzylamino)acetyl]-3-ethylpyrimidine-2,4-dione
CID 169167925

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione (CID 2105210) is 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione is CCn1c(=O)c(C(=O)CN2CCCC[C@H]2C)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione?
The InChIKey is TZAASZZRBZMDSB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-3-24-20(27)18(17(26)14-23-12-8-7-9-15(23)2)19(22)25(21(24)28)13-16-10-5-4-6-11-16/h4-6,10-11,15H,3,7-9,12-14,22H2,1-2H3/t15-/m1/s1.
What are the key properties of 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione?
6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione has a molecular weight of 384.48 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-3-ethyl-5-[2-[(2R)-2-methylpiperidin-1-yl]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2105210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).