(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide

C20H28N4O4 — CID 51153903

IUPAC(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)/C=C/c2ccc(C)o2)c(=O)[nH]c1=O
InChIInChI=1S/C20H28N4O4/c1-5-6-11-23-18(21)17(19(26)22-20(23)27)24(12-13(2)3)16(25)10-9-15-8-7-14(4)28-15/h7-10,13H,5-6,11-12,21H2,1-4H3,(H,22,26,27)/b10-9+
InChIKeyNHFUOPWZXRTNME-MDZDMXLPSA-N
MW388.47 g/mol
LogP2.52
Rot. Bonds8

About (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide

(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide (PubChem CID 51153903) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide
PubChem CID51153903
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)/C=C/c2ccc(C)o2)c(=O)[nH]c1=O
InChIInChI=1S/C20H28N4O4/c1-5-6-11-23-18(21)17(19(26)22-20(23)27)24(12-13(2)3)16(25)10-9-15-8-7-14(4)28-15/h7-10,13H,5-6,11-12,21H2,1-4H3,(H,22,26,27)/b10-9+
InChIKeyNHFUOPWZXRTNME-MDZDMXLPSA-N
XLogP2.52
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)propanamide
CID 26200665
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
CID 55605234
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(2-methylpropyl)benzamide
CID 8922784
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-methylfuran-2-carboxamide
CID 18077285
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 55339639
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-chloro-N-(2-methylpropyl)butanamide
CID 2393558
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(4-fluorophenyl)prop-2-enamide
CID 26185744
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide
CID 24686909
6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione
CID 47281812

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide (CID 51153903) is (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide is CCCCn1c(N)c(N(CC(C)C)C(=O)/C=C/c2ccc(C)o2)c(=O)[nH]c1=O.
What is the InChIKey of (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide?
The InChIKey is NHFUOPWZXRTNME-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-5-6-11-23-18(21)17(19(26)22-20(23)27)24(12-13(2)3)16(25)10-9-15-8-7-14(4)28-15/h7-10,13H,5-6,11-12,21H2,1-4H3,(H,22,26,27)/b10-9+.
What are the key properties of (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide?
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide has a molecular weight of 388.47 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 51153903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).