N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide

C15H24N4O3 — CID 2644561

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)C2CCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O3/c1-3-5-9-19-12(16)11(13(20)17-15(19)22)18(4-2)14(21)10-7-6-8-10/h10H,3-9,16H2,1-2H3,(H,17,20,22)
InChIKeyGHJAGTIBXSPZBP-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.07
Rot. Bonds6

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide (PubChem CID 2644561) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide
PubChem CID2644561
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)C2CCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O3/c1-3-5-9-19-12(16)11(13(20)17-15(19)22)18(4-2)14(21)10-7-6-8-10/h10H,3-9,16H2,1-2H3,(H,17,20,22)
InChIKeyGHJAGTIBXSPZBP-UHFFFAOYSA-N
XLogP1.07
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide (CID 2644561) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide is CCCCn1c(N)c(N(CC)C(=O)C2CCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide?
The InChIKey is GHJAGTIBXSPZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-3-5-9-19-12(16)11(13(20)17-15(19)22)18(4-2)14(21)10-7-6-8-10/h10H,3-9,16H2,1-2H3,(H,17,20,22).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide is sourced from PubChem (CID 2644561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).