6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione

C25H23ClN4O2 — CID 34646156

IUPAC6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione
SMILESNc1c(N(Cc2ccccc2)Cc2ccccc2Cl)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H23ClN4O2/c26-21-14-8-7-13-20(21)17-29(15-18-9-3-1-4-10-18)22-23(27)30(25(32)28-24(22)31)16-19-11-5-2-6-12-19/h1-14H,15-17,27H2,(H,28,31,32)
InChIKeyMCZJMGCDSQDBOR-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.03
Rot. Bonds7

About 6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione

6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione (PubChem CID 34646156) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione
PubChem CID34646156
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione
SMILESNc1c(N(Cc2ccccc2)Cc2ccccc2Cl)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H23ClN4O2/c26-21-14-8-7-13-20(21)17-29(15-18-9-3-1-4-10-18)22-23(27)30(25(32)28-24(22)31)16-19-11-5-2-6-12-19/h1-14H,15-17,27H2,(H,28,31,32)
InChIKeyMCZJMGCDSQDBOR-UHFFFAOYSA-N
XLogP4.03
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-1-benzyl-5-[benzyl-[(2-nitrophenyl)methyl]amino]pyrimidine-2,4-dione
CID 34646790
6-amino-1-benzyl-5-[benzyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione
CID 34646419
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclopropanecarboxamide
CID 26069674
6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione
CID 55387279
6-amino-5-[benzyl-[(2,6-dichlorophenyl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 36956398
6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 34653306
6-amino-1-benzyl-5-[(2-bromophenyl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione
CID 46537618
6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione
CID 60575810
6-amino-1-benzyl-5-[benzyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione
CID 46595214
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 46595309
6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione
CID 16605848
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione (CID 34646156) is 6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione is Nc1c(N(Cc2ccccc2)Cc2ccccc2Cl)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione?
The InChIKey is MCZJMGCDSQDBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c26-21-14-8-7-13-20(21)17-29(15-18-9-3-1-4-10-18)22-23(27)30(25(32)28-24(22)31)16-19-11-5-2-6-12-19/h1-14H,15-17,27H2,(H,28,31,32).
What are the key properties of 6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione?
6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione has a molecular weight of 446.94 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 34646156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).