2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide

C14H21N3O4 — CID 65120049

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
SMILESCC1CCC(O)(CNC(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C14H21N3O4/c1-9-2-4-14(21,5-3-9)8-15-11(18)6-10-7-12(19)17-13(20)16-10/h7,9,21H,2-6,8H2,1H3,(H,15,18)(H2,16,17,19,20)
InChIKeyXXNPYGMYVISLIU-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.34
Rot. Bonds4

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide (PubChem CID 65120049) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
PubChem CID65120049
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
SMILESCC1CCC(O)(CNC(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C14H21N3O4/c1-9-2-4-14(21,5-3-9)8-15-11(18)6-10-7-12(19)17-13(20)16-10/h7,9,21H,2-6,8H2,1H3,(H,15,18)(H2,16,17,19,20)
InChIKeyXXNPYGMYVISLIU-UHFFFAOYSA-N
XLogP-0.34
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.34
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-hydroxy-4-methylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide (CID 65120049) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide is CC1CCC(O)(CNC(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide?
The InChIKey is XXNPYGMYVISLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9-2-4-14(21,5-3-9)8-15-11(18)6-10-7-12(19)17-13(20)16-10/h7,9,21H,2-6,8H2,1H3,(H,15,18)(H2,16,17,19,20).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of -0.34, 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-hydroxy-4-methylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 65120049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).