2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide

C26H32N6O4 — CID 34652407

IUPAC2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
SMILESCCCCn1c(N)c(N(CC(=O)NC(=O)Nc2ccc(C)cc2C)Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H32N6O4/c1-4-5-13-32-23(27)22(24(34)30-26(32)36)31(15-19-9-7-6-8-10-19)16-21(33)29-25(35)28-20-12-11-17(2)14-18(20)3/h6-12,14H,4-5,13,15-16,27H2,1-3H3,(H,30,34,36)(H2,28,29,33,35)
InChIKeyHXHCJBJPIVJJQI-UHFFFAOYSA-N
MW492.58 g/mol
LogP2.89
Rot. Bonds9

About 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide (PubChem CID 34652407) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
PubChem CID34652407
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
SMILESCCCCn1c(N)c(N(CC(=O)NC(=O)Nc2ccc(C)cc2C)Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H32N6O4/c1-4-5-13-32-23(27)22(24(34)30-26(32)36)31(15-19-9-7-6-8-10-19)16-21(33)29-25(35)28-20-12-11-17(2)14-18(20)3/h6-12,14H,4-5,13,15-16,27H2,1-3H3,(H,30,34,36)(H2,28,29,33,35)
InChIKeyHXHCJBJPIVJJQI-UHFFFAOYSA-N
XLogP2.89
TPSA142.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide with MolForge

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Related Compounds

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 36909911
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-chloro-4-methylphenyl)acetamide
CID 34651452
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 31035777
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 30870975
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 30871046
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(1-phenylethyl)acetamide
CID 43061837
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 30871126
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-(2-thiophen-2-ylethyl)acetamide
CID 30871118
6-amino-5-[benzyl-[(4-nitrophenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 33411212
6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione
CID 34651310

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide (CID 34652407) is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide is CCCCn1c(N)c(N(CC(=O)NC(=O)Nc2ccc(C)cc2C)Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The InChIKey is HXHCJBJPIVJJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-4-5-13-32-23(27)22(24(34)30-26(32)36)31(15-19-9-7-6-8-10-19)16-21(33)29-25(35)28-20-12-11-17(2)14-18(20)3/h6-12,14H,4-5,13,15-16,27H2,1-3H3,(H,30,34,36)(H2,28,29,33,35).
What are the key properties of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide has a molecular weight of 492.58 g/mol, XLogP of 2.89, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 34652407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).