(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide

C26H38N4O5 — CID 6216470

IUPAC(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
SMILESCCCCN(C(=O)/C=C/c1ccc(OCC(C)C)c(OCC)c1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C26H38N4O5/c1-6-9-15-29(23-24(27)30(14-7-2)26(33)28-25(23)32)22(31)13-11-19-10-12-20(35-17-18(4)5)21(16-19)34-8-3/h10-13,16,18H,6-9,14-15,17,27H2,1-5H3,(H,28,32,33)/b13-11+
InChIKeyQFMIITRVRMOVAM-ACCUITESSA-N
MW486.61 g/mol
LogP3.81
Rot. Bonds13

About (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide

(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide (PubChem CID 6216470) has the molecular formula C26H38N4O5 and a molecular weight of 486.61 g/mol. Its IUPAC name is (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
PubChem CID6216470
Molecular FormulaC26H38N4O5
Molecular Weight486.61 g/mol
Exact Mass486.28
IUPAC Name(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
SMILESCCCCN(C(=O)/C=C/c1ccc(OCC(C)C)c(OCC)c1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C26H38N4O5/c1-6-9-15-29(23-24(27)30(14-7-2)26(33)28-25(23)32)22(31)13-11-19-10-12-20(35-17-18(4)5)21(16-19)34-8-3/h10-13,16,18H,6-9,14-15,17,27H2,1-5H3,(H,28,32,33)/b13-11+
InChIKeyQFMIITRVRMOVAM-ACCUITESSA-N
XLogP3.81
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide (CID 6216470) is (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide is CCCCN(C(=O)/C=C/c1ccc(OCC(C)C)c(OCC)c1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide?
The InChIKey is QFMIITRVRMOVAM-ACCUITESSA-N. The full InChI is InChI=1S/C26H38N4O5/c1-6-9-15-29(23-24(27)30(14-7-2)26(33)28-25(23)32)22(31)13-11-19-10-12-20(35-17-18(4)5)21(16-19)34-8-3/h10-13,16,18H,6-9,14-15,17,27H2,1-5H3,(H,28,32,33)/b13-11+.
What are the key properties of (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide?
(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide has a molecular weight of 486.61 g/mol, XLogP of 3.81, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 6216470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).