N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide

C22H28N6O4 — CID 55621362

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide
SMILESCCN(C(=O)CN(C)Cc1c(C)noc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H28N6O4/c1-5-27(18(29)13-26(4)12-17-14(2)25-32-15(17)3)19-20(23)28(22(31)24-21(19)30)11-16-9-7-6-8-10-16/h6-10H,5,11-13,23H2,1-4H3,(H,24,30,31)
InChIKeyDKPUWRWNBPYVNU-UHFFFAOYSA-N
MW440.50 g/mol
LogP1.26
Rot. Bonds8

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide (PubChem CID 55621362) has the molecular formula C22H28N6O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide
PubChem CID55621362
Molecular FormulaC22H28N6O4
Molecular Weight440.50 g/mol
Exact Mass440.22
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide
SMILESCCN(C(=O)CN(C)Cc1c(C)noc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H28N6O4/c1-5-27(18(29)13-26(4)12-17-14(2)25-32-15(17)3)19-20(23)28(22(31)24-21(19)30)11-16-9-7-6-8-10-16/h6-10H,5,11-13,23H2,1-4H3,(H,24,30,31)
InChIKeyDKPUWRWNBPYVNU-UHFFFAOYSA-N
XLogP1.26
TPSA130.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylacetamide
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CID 55605012
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CID 43056155
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CID 4848050
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N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-ethylacetamide
CID 43052672
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide (CID 55621362) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide is CCN(C(=O)CN(C)Cc1c(C)noc1C)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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide?
The InChIKey is DKPUWRWNBPYVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4/c1-5-27(18(29)13-26(4)12-17-14(2)25-32-15(17)3)19-20(23)28(22(31)24-21(19)30)11-16-9-7-6-8-10-16/h6-10H,5,11-13,23H2,1-4H3,(H,24,30,31).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide has a molecular weight of 440.50 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 55621362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).