N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide

C18H30N4O3 — CID 9112663

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide
SMILESCCCCN(C(=O)CC1CCCC1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H30N4O3/c1-3-5-11-21(14(23)12-13-8-6-7-9-13)15-16(19)22(10-4-2)18(25)20-17(15)24/h13H,3-12,19H2,1-2H3,(H,20,24,25)
InChIKeyVNWJPALOCHILTL-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.24
Rot. Bonds8

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide (PubChem CID 9112663) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide
PubChem CID9112663
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide
SMILESCCCCN(C(=O)CC1CCCC1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H30N4O3/c1-3-5-11-21(14(23)12-13-8-6-7-9-13)15-16(19)22(10-4-2)18(25)20-17(15)24/h13H,3-12,19H2,1-2H3,(H,20,24,25)
InChIKeyVNWJPALOCHILTL-UHFFFAOYSA-N
XLogP2.24
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide (CID 9112663) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide is CCCCN(C(=O)CC1CCCC1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide?
The InChIKey is VNWJPALOCHILTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-3-5-11-21(14(23)12-13-8-6-7-9-13)15-16(19)22(10-4-2)18(25)20-17(15)24/h13H,3-12,19H2,1-2H3,(H,20,24,25).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide has a molecular weight of 350.46 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-cyclopentylacetamide is sourced from PubChem (CID 9112663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).