2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide

C13H19N3O4 — CID 62522357

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1(CO)CCCCC1
InChIInChI=1S/C13H19N3O4/c17-8-13(4-2-1-3-5-13)16-11(19)7-9-6-10(18)15-12(20)14-9/h6,17H,1-5,7-8H2,(H,16,19)(H2,14,15,18,20)
InChIKeyYOIFUXALRHFNCH-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.58
Rot. Bonds4

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide (PubChem CID 62522357) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
PubChem CID62522357
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1(CO)CCCCC1
InChIInChI=1S/C13H19N3O4/c17-8-13(4-2-1-3-5-13)16-11(19)7-9-6-10(18)15-12(20)14-9/h6,17H,1-5,7-8H2,(H,16,19)(H2,14,15,18,20)
InChIKeyYOIFUXALRHFNCH-UHFFFAOYSA-N
XLogP-0.58
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide (CID 62522357) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1(CO)CCCCC1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The InChIKey is YOIFUXALRHFNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-8-13(4-2-1-3-5-13)16-11(19)7-9-6-10(18)15-12(20)14-9/h6,17H,1-5,7-8H2,(H,16,19)(H2,14,15,18,20).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide has a molecular weight of 281.31 g/mol, XLogP of -0.58, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 62522357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).