6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione

C23H28N4O2 — CID 34653306

IUPAC6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(Cc2ccccc2)Cc2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C23H28N4O2/c1-3-4-14-27-21(24)20(22(28)25-23(27)29)26(15-18-11-6-5-7-12-18)16-19-13-9-8-10-17(19)2/h5-13H,3-4,14-16,24H2,1-2H3,(H,25,28,29)
InChIKeyZMZURFVJDDBREK-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.43
Rot. Bonds8

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

6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione (PubChem CID 34653306) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
PubChem CID34653306
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(Cc2ccccc2)Cc2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C23H28N4O2/c1-3-4-14-27-21(24)20(22(28)25-23(27)29)26(15-18-11-6-5-7-12-18)16-19-13-9-8-10-17(19)2/h5-13H,3-4,14-16,24H2,1-2H3,(H,25,28,29)
InChIKeyZMZURFVJDDBREK-UHFFFAOYSA-N
XLogP3.43
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-5-[benzyl-[(4-nitrophenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 33411212
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 18136980
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 34652407
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 30871126
4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]methyl]-3-nitrobenzamide
CID 30871134
6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
CID 110009359
3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide
CID 30891861
ethyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]acetyl]piperazine-1-carboxylate
CID 34651964
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(1-phenylethyl)acetamide
CID 43061837
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylbut-2-enamide
CID 30659785
6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione
CID 34651310
6-amino-5-[benzyl-[2-(4-chlorophenyl)sulfonylethyl]amino]-1-butylpyrimidine-2,4-dione
CID 30871068

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione (CID 34653306) is 6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione is CCCCn1c(N)c(N(Cc2ccccc2)Cc2ccccc2C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione?
The InChIKey is ZMZURFVJDDBREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-3-4-14-27-21(24)20(22(28)25-23(27)29)26(15-18-11-6-5-7-12-18)16-19-13-9-8-10-17(19)2/h5-13H,3-4,14-16,24H2,1-2H3,(H,25,28,29).
What are the key properties of 6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione?
6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione has a molecular weight of 392.50 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione is sourced from PubChem (CID 34653306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).