2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide

C18H24N6O4 — CID 78834972

IUPAC2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
SMILESCCCCn1c(N)c(N(C)CC(=O)Nc2oc(C)c(C)c2C#N)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N6O4/c1-5-6-7-24-15(20)14(16(26)22-18(24)27)23(4)9-13(25)21-17-12(8-19)10(2)11(3)28-17/h5-7,9,20H2,1-4H3,(H,21,25)(H,22,26,27)
InChIKeyVGLAALRTEZGRQN-UHFFFAOYSA-N
MW388.43 g/mol
LogP1.08
Rot. Bonds7

About 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide (PubChem CID 78834972) has the molecular formula C18H24N6O4 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
PubChem CID78834972
Molecular FormulaC18H24N6O4
Molecular Weight388.43 g/mol
Exact Mass388.19
IUPAC Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
SMILESCCCCn1c(N)c(N(C)CC(=O)Nc2oc(C)c(C)c2C#N)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N6O4/c1-5-6-7-24-15(20)14(16(26)22-18(24)27)23(4)9-13(25)21-17-12(8-19)10(2)11(3)28-17/h5-7,9,20H2,1-4H3,(H,21,25)(H,22,26,27)
InChIKeyVGLAALRTEZGRQN-UHFFFAOYSA-N
XLogP1.08
TPSA150.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide with MolForge

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Related Compounds

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]acetamide
CID 55500349
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(tert-butylcarbamoyl)acetamide
CID 55474865
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
CID 55500431
2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46673927
ethyl 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]acetyl]amino]thiophene-3-carboxylate
CID 55499426
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]acetamide
CID 24595643
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 55500426
6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione
CID 47150405
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 46690480
6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione
CID 47281812
6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione
CID 78834956
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 41145000

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
The IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide (CID 78834972) is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide.
What is the SMILES notation for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
The canonical SMILES for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide is CCCCn1c(N)c(N(C)CC(=O)Nc2oc(C)c(C)c2C#N)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
The InChIKey is VGLAALRTEZGRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O4/c1-5-6-7-24-15(20)14(16(26)22-18(24)27)23(4)9-13(25)21-17-12(8-19)10(2)11(3)28-17/h5-7,9,20H2,1-4H3,(H,21,25)(H,22,26,27).
What are the key properties of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide has a molecular weight of 388.43 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide is sourced from PubChem (CID 78834972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).