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

C26H39N5O4 — CID 55623702

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
SMILESCCCCN(C(=O)c1ccc(CN2CC(C)OC(C)C2)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C26H39N5O4/c1-5-7-13-30(22-23(27)31(14-8-6-2)26(34)28-24(22)32)25(33)21-11-9-20(10-12-21)17-29-15-18(3)35-19(4)16-29/h9-12,18-19H,5-8,13-17,27H2,1-4H3,(H,28,32,34)
InChIKeyFRFMLDFDMCVKMM-UHFFFAOYSA-N
MW485.63 g/mol
LogP2.97
Rot. Bonds10

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide (PubChem CID 55623702) has the molecular formula C26H39N5O4 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
PubChem CID55623702
Molecular FormulaC26H39N5O4
Molecular Weight485.63 g/mol
Exact Mass485.30
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
SMILESCCCCN(C(=O)c1ccc(CN2CC(C)OC(C)C2)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C26H39N5O4/c1-5-7-13-30(22-23(27)31(14-8-6-2)26(34)28-24(22)32)25(33)21-11-9-20(10-12-21)17-29-15-18(3)35-19(4)16-29/h9-12,18-19H,5-8,13-17,27H2,1-4H3,(H,28,32,34)
InChIKeyFRFMLDFDMCVKMM-UHFFFAOYSA-N
XLogP2.97
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide with MolForge

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide
CID 55623424
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 16550098
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,4-difluorobenzamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-6-methylpyridine-3-carboxamide
CID 30289922
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(propan-2-ylsulfamoyl)benzamide
CID 16593377
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-4-pyrazol-1-ylbenzamide
CID 30969804
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25162791
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethylbenzamide
CID 4816306
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24982337
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43038159
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide
CID 55338202
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-methylpropyl)benzamide
CID 30826009

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide (CID 55623702) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide is CCCCN(C(=O)c1ccc(CN2CC(C)OC(C)C2)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
The InChIKey is FRFMLDFDMCVKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O4/c1-5-7-13-30(22-23(27)31(14-8-6-2)26(34)28-24(22)32)25(33)21-11-9-20(10-12-21)17-29-15-18(3)35-19(4)16-29/h9-12,18-19H,5-8,13-17,27H2,1-4H3,(H,28,32,34).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide has a molecular weight of 485.63 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide is sourced from PubChem (CID 55623702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).