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

C13H19N3O4 — CID 64928119

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC1CCCCC1O
InChIInChI=1S/C13H19N3O4/c17-10-4-2-1-3-8(10)7-14-11(18)5-9-6-12(19)16-13(20)15-9/h6,8,10,17H,1-5,7H2,(H,14,18)(H2,15,16,19,20)
InChIKeyCLTNOSPEOKMHMO-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.73
Rot. Bonds4

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

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide (PubChem CID 64928119) 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-[(2-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide
PubChem CID64928119
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC1CCCCC1O
InChIInChI=1S/C13H19N3O4/c17-10-4-2-1-3-8(10)7-14-11(18)5-9-6-12(19)16-13(20)15-9/h6,8,10,17H,1-5,7H2,(H,14,18)(H2,15,16,19,20)
InChIKeyCLTNOSPEOKMHMO-UHFFFAOYSA-N
XLogP-0.73
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 ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 43394171
6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 60954763
6-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 62357945
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxycyclohexyl)acetamide
CID 62365630
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522357
6-[[(2-Hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 64912014
N-[(2-hydroxycyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 64927138
N-[(2-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 64929694
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65113997
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65120049
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 65833150
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 65894252

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide (CID 64928119) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC1CCCCC1O.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is CLTNOSPEOKMHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-10-4-2-1-3-8(10)7-14-11(18)5-9-6-12(19)16-13(20)15-9/h6,8,10,17H,1-5,7H2,(H,14,18)(H2,15,16,19,20).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 281.31 g/mol, XLogP of -0.73, 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-[(2-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 64928119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).