N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide

C24H28ClN5O3 — CID 43056155

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
SMILESCCN(C(=O)CN(C)C(C)c1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H28ClN5O3/c1-4-29(20(31)15-28(3)16(2)18-10-12-19(25)13-11-18)21-22(26)30(24(33)27-23(21)32)14-17-8-6-5-7-9-17/h5-13,16H,4,14-15,26H2,1-3H3,(H,27,32,33)
InChIKeyNTVKCRPBYBGEOF-UHFFFAOYSA-N
MW469.97 g/mol
LogP2.87
Rot. Bonds8

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide (PubChem CID 43056155) has the molecular formula C24H28ClN5O3 and a molecular weight of 469.97 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
PubChem CID43056155
Molecular FormulaC24H28ClN5O3
Molecular Weight469.97 g/mol
Exact Mass469.19
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
SMILESCCN(C(=O)CN(C)C(C)c1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H28ClN5O3/c1-4-29(20(31)15-28(3)16(2)18-10-12-19(25)13-11-18)21-22(26)30(24(33)27-23(21)32)14-17-8-6-5-7-9-17/h5-13,16H,4,14-15,26H2,1-3H3,(H,27,32,33)
InChIKeyNTVKCRPBYBGEOF-UHFFFAOYSA-N
XLogP2.87
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide (CID 43056155) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide is CCN(C(=O)CN(C)C(C)c1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide?
The InChIKey is NTVKCRPBYBGEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3/c1-4-29(20(31)15-28(3)16(2)18-10-12-19(25)13-11-18)21-22(26)30(24(33)27-23(21)32)14-17-8-6-5-7-9-17/h5-13,16H,4,14-15,26H2,1-3H3,(H,27,32,33).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide has a molecular weight of 469.97 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 43056155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).