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

C18H31N5O4 — CID 2549186

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-morpholin-4-ylacetamide
SMILESCCCCN(C(=O)CN1CCOCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N5O4/c1-4-5-6-22(14(24)12-21-7-9-27-10-8-21)15-16(19)23(11-13(2)3)18(26)20-17(15)25/h13H,4-12,19H2,1-3H3,(H,20,25,26)
InChIKeyRUUGUIHQIOFIFU-UHFFFAOYSA-N
MW381.48 g/mol
LogP0.24
Rot. Bonds8

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-morpholin-4-ylacetamide (PubChem CID 2549186) has the molecular formula C18H31N5O4 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-morpholin-4-ylacetamide
PubChem CID2549186
Molecular FormulaC18H31N5O4
Molecular Weight381.48 g/mol
Exact Mass381.24
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-morpholin-4-ylacetamide
SMILESCCCCN(C(=O)CN1CCOCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N5O4/c1-4-5-6-22(14(24)12-21-7-9-27-10-8-21)15-16(19)23(11-13(2)3)18(26)20-17(15)25/h13H,4-12,19H2,1-3H3,(H,20,25,26)
InChIKeyRUUGUIHQIOFIFU-UHFFFAOYSA-N
XLogP0.24
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-morpholin-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-morpholin-4-ylacetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-morpholin-4-ylacetamide (CID 2549186) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-morpholin-4-ylacetamide is CCCCN(C(=O)CN1CCOCC1)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-morpholin-4-ylacetamide?
The InChIKey is RUUGUIHQIOFIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O4/c1-4-5-6-22(14(24)12-21-7-9-27-10-8-21)15-16(19)23(11-13(2)3)18(26)20-17(15)25/h13H,4-12,19H2,1-3H3,(H,20,25,26).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-morpholin-4-ylacetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-morpholin-4-ylacetamide has a molecular weight of 381.48 g/mol, XLogP of 0.24, 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-morpholin-4-ylacetamide is sourced from PubChem (CID 2549186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).