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

C24H28ClN5O3 — CID 34651452

IUPAC2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-chloro-4-methylphenyl)acetamide
SMILESCCCCn1c(N)c(N(CC(=O)Nc2ccc(C)cc2Cl)Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H28ClN5O3/c1-3-4-12-30-22(26)21(23(32)28-24(30)33)29(14-17-8-6-5-7-9-17)15-20(31)27-19-11-10-16(2)13-18(19)25/h5-11,13H,3-4,12,14-15,26H2,1-2H3,(H,27,31)(H,28,32,33)
InChIKeyAPFGHFWTGXCJHC-UHFFFAOYSA-N
MW469.97 g/mol
LogP3.53
Rot. Bonds9

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

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 34651452) has the molecular formula C24H28ClN5O3 and a molecular weight of 469.97 g/mol. Its IUPAC name is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID34651452
Molecular FormulaC24H28ClN5O3
Molecular Weight469.97 g/mol
Exact Mass469.19
IUPAC Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-chloro-4-methylphenyl)acetamide
SMILESCCCCn1c(N)c(N(CC(=O)Nc2ccc(C)cc2Cl)Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H28ClN5O3/c1-3-4-12-30-22(26)21(23(32)28-24(30)33)29(14-17-8-6-5-7-9-17)15-20(31)27-19-11-10-16(2)13-18(19)25/h5-11,13H,3-4,12,14-15,26H2,1-2H3,(H,27,31)(H,28,32,33)
InChIKeyAPFGHFWTGXCJHC-UHFFFAOYSA-N
XLogP3.53
TPSA113.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2,5-dimethoxyphenyl)acetamide
CID 30870975
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(1-phenylethyl)acetamide
CID 43061837
3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-chlorophenyl)propanamide
CID 34196228
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 30871046
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)-ethylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 36909911
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 30871126
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 34651789
3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide
CID 30891861
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 30871118
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-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-chloro-4-methylphenyl)acetamide (CID 34651452) is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-chloro-4-methylphenyl)acetamide is CCCCn1c(N)c(N(CC(=O)Nc2ccc(C)cc2Cl)Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is APFGHFWTGXCJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3/c1-3-4-12-30-22(26)21(23(32)28-24(30)33)29(14-17-8-6-5-7-9-17)15-20(31)27-19-11-10-16(2)13-18(19)25/h5-11,13H,3-4,12,14-15,26H2,1-2H3,(H,27,31)(H,28,32,33).
What are the key properties of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-chloro-4-methylphenyl)acetamide?
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 469.97 g/mol, XLogP of 3.53, 9 rotatable bonds, 3 hydrogen bond donors, and 6 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-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 34651452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).