N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide

C23H32ClN5O4 — CID 24979633

IUPACN-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide
SMILESCC(C)CN(C(=O)CN(C)C(=O)Cc1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C23H32ClN5O4/c1-14(2)11-28(20-21(25)29(12-15(3)4)23(33)26-22(20)32)19(31)13-27(5)18(30)10-16-6-8-17(24)9-7-16/h6-9,14-15H,10-13,25H2,1-5H3,(H,26,32,33)
InChIKeyXLXLCBVQSBBTCQ-UHFFFAOYSA-N
MW477.99 g/mol
LogP2.12
Rot. Bonds9

About N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide

N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide (PubChem CID 24979633) has the molecular formula C23H32ClN5O4 and a molecular weight of 477.99 g/mol. Its IUPAC name is N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide
PubChem CID24979633
Molecular FormulaC23H32ClN5O4
Molecular Weight477.99 g/mol
Exact Mass477.21
IUPAC NameN-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide
SMILESCC(C)CN(C(=O)CN(C)C(=O)Cc1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C23H32ClN5O4/c1-14(2)11-28(20-21(25)29(12-15(3)4)23(33)26-22(20)32)19(31)13-27(5)18(30)10-16-6-8-17(24)9-7-16/h6-9,14-15H,10-13,25H2,1-5H3,(H,26,32,33)
InChIKeyXLXLCBVQSBBTCQ-UHFFFAOYSA-N
XLogP2.12
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.99
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 27204217
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-methyl-N-(2-methylpropyl)butanamide
CID 31288285
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 24979558
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 2558690
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 29299004
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4791309
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 29298893
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 29298957
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(3-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)acetamide
CID 30724872
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-phenylacetamide
CID 4825571
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 2684449
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-ium-1-yl)-N-(2-methylpropyl)acetamide
CID 2406568

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide?
The IUPAC name of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide (CID 24979633) is N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide?
The canonical SMILES for N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide is CC(C)CN(C(=O)CN(C)C(=O)Cc1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide?
The InChIKey is XLXLCBVQSBBTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN5O4/c1-14(2)11-28(20-21(25)29(12-15(3)4)23(33)26-22(20)32)19(31)13-27(5)18(30)10-16-6-8-17(24)9-7-16/h6-9,14-15H,10-13,25H2,1-5H3,(H,26,32,33).
What are the key properties of N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide?
N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide has a molecular weight of 477.99 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-2-(4-chlorophenyl)-N-methylacetamide is sourced from PubChem (CID 24979633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).