N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)cyclopentanecarboxamide

C19H32N4O3 — CID 8913855

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)cyclopentanecarboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N4O3/c1-4-5-11-23-16(20)15(17(24)21-19(23)26)22(12-10-13(2)3)18(25)14-8-6-7-9-14/h13-14H,4-12,20H2,1-3H3,(H,21,24,26)
InChIKeyCFSPXTWGLWHTKN-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.49
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)cyclopentanecarboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)cyclopentanecarboxamide (PubChem CID 8913855) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)cyclopentanecarboxamide
PubChem CID8913855
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)cyclopentanecarboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N4O3/c1-4-5-11-23-16(20)15(17(24)21-19(23)26)22(12-10-13(2)3)18(25)14-8-6-7-9-14/h13-14H,4-12,20H2,1-3H3,(H,21,24,26)
InChIKeyCFSPXTWGLWHTKN-UHFFFAOYSA-N
XLogP2.49
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide
CID 2644561
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide
CID 7759348
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclopentanecarboxamide
CID 8918002
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclopentanecarboxamide
CID 2559954
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide
CID 9112663
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-butyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 18276569
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,4-dibutylcyclohexane-1-carboxamide
CID 24816780
N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-cyclohexyl-acetamide
CID 25162059
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide
CID 8922754
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 18084101
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide
CID 24686522
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-cyclopentylacetamide
CID 24687227

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)cyclopentanecarboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)cyclopentanecarboxamide (CID 8913855) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)cyclopentanecarboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)cyclopentanecarboxamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)C2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)cyclopentanecarboxamide?
The InChIKey is CFSPXTWGLWHTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-4-5-11-23-16(20)15(17(24)21-19(23)26)22(12-10-13(2)3)18(25)14-8-6-7-9-14/h13-14H,4-12,20H2,1-3H3,(H,21,24,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)cyclopentanecarboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)cyclopentanecarboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.49, 8 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-(3-methylbutyl)cyclopentanecarboxamide is sourced from PubChem (CID 8913855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).