N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]cyclopropanecarboxamide

C23H28N4O3 — CID 24686922

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]cyclopropanecarboxamide
SMILESNc1c(N(CCC2=CCCCC2)C(=O)C2CC2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C23H28N4O3/c24-20-19(21(28)25-23(30)27(20)15-17-9-5-2-6-10-17)26(22(29)18-11-12-18)14-13-16-7-3-1-4-8-16/h2,5-7,9-10,18H,1,3-4,8,11-15,24H2,(H,25,28,30)
InChIKeyMTGDQFWQZSVGTF-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.80
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]cyclopropanecarboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]cyclopropanecarboxamide (PubChem CID 24686922) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]cyclopropanecarboxamide
PubChem CID24686922
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]cyclopropanecarboxamide
SMILESNc1c(N(CCC2=CCCCC2)C(=O)C2CC2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C23H28N4O3/c24-20-19(21(28)25-23(30)27(20)15-17-9-5-2-6-10-17)26(22(29)18-11-12-18)14-13-16-7-3-1-4-8-16/h2,5-7,9-10,18H,1,3-4,8,11-15,24H2,(H,25,28,30)
InChIKeyMTGDQFWQZSVGTF-UHFFFAOYSA-N
XLogP2.80
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]cyclopropanecarboxamide (CID 24686922) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]cyclopropanecarboxamide is Nc1c(N(CCC2=CCCCC2)C(=O)C2CC2)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is MTGDQFWQZSVGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c24-20-19(21(28)25-23(30)27(20)15-17-9-5-2-6-10-17)26(22(29)18-11-12-18)14-13-16-7-3-1-4-8-16/h2,5-7,9-10,18H,1,3-4,8,11-15,24H2,(H,25,28,30).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]cyclopropanecarboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 24686922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).