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

C17H28N4O3 — CID 8922754

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)C2CCC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H28N4O3/c1-4-5-9-20-14(18)13(15(22)19-17(20)24)21(10-11(2)3)16(23)12-7-6-8-12/h11-12H,4-10,18H2,1-3H3,(H,19,22,24)
InChIKeyVKABTXLSPGEIHO-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.71
Rot. Bonds7

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide (PubChem CID 8922754) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide
PubChem CID8922754
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)C2CCC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H28N4O3/c1-4-5-9-20-14(18)13(15(22)19-17(20)24)21(10-11(2)3)16(23)12-7-6-8-12/h11-12H,4-10,18H2,1-3H3,(H,19,22,24)
InChIKeyVKABTXLSPGEIHO-UHFFFAOYSA-N
XLogP1.71
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.71
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-(2-methylpropyl)cyclobutanecarboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide (CID 8922754) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide is CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide?
The InChIKey is VKABTXLSPGEIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-4-5-9-20-14(18)13(15(22)19-17(20)24)21(10-11(2)3)16(23)12-7-6-8-12/h11-12H,4-10,18H2,1-3H3,(H,19,22,24).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.71, 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-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide is sourced from PubChem (CID 8922754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).