N-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C16H24N4O4 — CID 56714943

IUPACN-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCC1CN(C2CCCC2)CCO1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H24N4O4/c21-14(13-9-18-16(23)19-15(13)22)17-6-5-12-10-20(7-8-24-12)11-3-1-2-4-11/h9,11-12H,1-8,10H2,(H,17,21)(H2,18,19,22,23)
InChIKeyPEALKQJHROUXIU-UHFFFAOYSA-N
MW336.39 g/mol
LogP-0.17
Rot. Bonds5

About N-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 56714943) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID56714943
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC NameN-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCC1CN(C2CCCC2)CCO1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H24N4O4/c21-14(13-9-18-16(23)19-15(13)22)17-6-5-12-10-20(7-8-24-12)11-3-1-2-4-11/h9,11-12H,1-8,10H2,(H,17,21)(H2,18,19,22,23)
InChIKeyPEALKQJHROUXIU-UHFFFAOYSA-N
XLogP-0.17
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 56714943) is N-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(NCCC1CN(C2CCCC2)CCO1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is PEALKQJHROUXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c21-14(13-9-18-16(23)19-15(13)22)17-6-5-12-10-20(7-8-24-12)11-3-1-2-4-11/h9,11-12H,1-8,10H2,(H,17,21)(H2,18,19,22,23).
What are the key properties of N-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 336.39 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56714943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).