N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide

C20H35N5O4 — CID 4968872

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCCCCN(C(=O)CN1CC(C)OC(C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H35N5O4/c1-6-7-8-24(16(26)12-23-10-14(4)29-15(5)11-23)17-18(21)25(9-13(2)3)20(28)22-19(17)27/h13-15H,6-12,21H2,1-5H3,(H,22,27,28)
InChIKeyJNJNKIAWFAHHRH-UHFFFAOYSA-N
MW409.53 g/mol
LogP1.02
Rot. Bonds8

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide (PubChem CID 4968872) has the molecular formula C20H35N5O4 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide
PubChem CID4968872
Molecular FormulaC20H35N5O4
Molecular Weight409.53 g/mol
Exact Mass409.27
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCCCCN(C(=O)CN1CC(C)OC(C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H35N5O4/c1-6-7-8-24(16(26)12-23-10-14(4)29-15(5)11-23)17-18(21)25(9-13(2)3)20(28)22-19(17)27/h13-15H,6-12,21H2,1-5H3,(H,22,27,28)
InChIKeyJNJNKIAWFAHHRH-UHFFFAOYSA-N
XLogP1.02
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide (CID 4968872) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide is CCCCN(C(=O)CN1CC(C)OC(C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The InChIKey is JNJNKIAWFAHHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O4/c1-6-7-8-24(16(26)12-23-10-14(4)29-15(5)11-23)17-18(21)25(9-13(2)3)20(28)22-19(17)27/h13-15H,6-12,21H2,1-5H3,(H,22,27,28).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide has a molecular weight of 409.53 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 4968872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).