N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide

C19H28N4O4 — CID 24819678

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(C)oc2C)c(=O)[nH]c1=O
InChIInChI=1S/C19H28N4O4/c1-6-7-8-22-16(20)15(17(24)21-19(22)26)23(10-11(2)3)18(25)14-9-12(4)27-13(14)5/h9,11H,6-8,10,20H2,1-5H3,(H,21,24,26)
InChIKeyOZBQOLXNFPVJQH-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.43
Rot. Bonds7

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide (PubChem CID 24819678) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
PubChem CID24819678
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(C)oc2C)c(=O)[nH]c1=O
InChIInChI=1S/C19H28N4O4/c1-6-7-8-22-16(20)15(17(24)21-19(22)26)23(10-11(2)3)18(25)14-9-12(4)27-13(14)5/h9,11H,6-8,10,20H2,1-5H3,(H,21,24,26)
InChIKeyOZBQOLXNFPVJQH-UHFFFAOYSA-N
XLogP2.43
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide with MolForge

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Related Compounds

(5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 846545
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylfuran-3-carboxamide
CID 868855
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
CID 24686540
1-[4-(2,5-Dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
1-(2,5-Dimethylfuran-3-carbonyl)piperidine-4-carboxamide
CID 33809481
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 16367558
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 25162400
(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide
CID 2463206
(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(furan-2-yl)-N-propylprop-2-enamide
CID 2561039
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide
CID 9441725
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 24980528
3-[1-(2,5-Dimethylfuran-3-YL)-N-(2-methylpropyl)formamido]-N-(3-methoxypropyl)propanamide
CID 3680137

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide (CID 24819678) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide is CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(C)oc2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
The InChIKey is OZBQOLXNFPVJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-6-7-8-22-16(20)15(17(24)21-19(22)26)23(10-11(2)3)18(25)14-9-12(4)27-13(14)5/h9,11H,6-8,10,20H2,1-5H3,(H,21,24,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide is sourced from PubChem (CID 24819678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).