6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione

C25H29N5O3 — CID 34646419

IUPAC6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione
SMILESNc1c(N(CC(=O)N2CCCCC2)Cc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H29N5O3/c26-23-22(24(32)27-25(33)30(23)17-20-12-6-2-7-13-20)29(16-19-10-4-1-5-11-19)18-21(31)28-14-8-3-9-15-28/h1-2,4-7,10-13H,3,8-9,14-18,26H2,(H,27,32,33)
InChIKeyQBGBVMRDJVZZQP-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.19
Rot. Bonds7

About 6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione

6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione (PubChem CID 34646419) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione
PubChem CID34646419
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione
SMILESNc1c(N(CC(=O)N2CCCCC2)Cc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H29N5O3/c26-23-22(24(32)27-25(33)30(23)17-20-12-6-2-7-13-20)29(16-19-10-4-1-5-11-19)18-21(31)28-14-8-3-9-15-28/h1-2,4-7,10-13H,3,8-9,14-18,26H2,(H,27,32,33)
InChIKeyQBGBVMRDJVZZQP-UHFFFAOYSA-N
XLogP2.19
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

6-amino-5-[[2-(azepan-1-yl)-2-oxoethyl]-(3-methoxypropyl)amino]-1-benzylpyrimidine-2,4-dione
CID 46527785
6-amino-1-benzyl-5-[benzyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione
CID 34646186
ethyl 4-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetyl]piperazine-1-carboxylate
CID 16597038
6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione
CID 34651310
ethyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]acetyl]piperazine-1-carboxylate
CID 34651964
6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione
CID 34646156
6-amino-1-benzyl-5-[ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]pyrimidine-2,4-dione
CID 43039348
6-amino-5-[benzyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]amino]-1-butylpyrimidine-2,4-dione
CID 30871138
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 46595309
6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione
CID 60575810
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclopropanecarboxamide
CID 26069674
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 34646506

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione (CID 34646419) is 6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione is Nc1c(N(CC(=O)N2CCCCC2)Cc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione?
The InChIKey is QBGBVMRDJVZZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c26-23-22(24(32)27-25(33)30(23)17-20-12-6-2-7-13-20)29(16-19-10-4-1-5-11-19)18-21(31)28-14-8-3-9-15-28/h1-2,4-7,10-13H,3,8-9,14-18,26H2,(H,27,32,33).
What are the key properties of 6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione?
6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione has a molecular weight of 447.54 g/mol, XLogP of 2.19, 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-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 34646419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).