N-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide

C12H17N3O3 — CID 43508876

IUPACN-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NC1CCC(O)CC1
InChIInChI=1S/C12H17N3O3/c16-10-4-2-9(3-5-10)14-11(17)8-15-7-1-6-13-12(15)18/h1,6-7,9-10,16H,2-5,8H2,(H,14,17)
InChIKeyIYTPESUUTUAUFA-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.34
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 43508876) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID43508876
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NC1CCC(O)CC1
InChIInChI=1S/C12H17N3O3/c16-10-4-2-9(3-5-10)14-11(17)8-15-7-1-6-13-12(15)18/h1,6-7,9-10,16H,2-5,8H2,(H,14,17)
InChIKeyIYTPESUUTUAUFA-UHFFFAOYSA-N
XLogP-0.34
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide
CID 140574609
N-(2-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 62365951
N-[(2-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 64926906
N-(5-hydroxypentan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 80292126
N-(2-hydroxycyclohexyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 102635565
N-[2-(2-hydroxyethyl)pentyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 103820613
N-[2-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 103860333
N-(6-hydroxyhexyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 103919177
N-(4-hydroxypentan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 104108978
N-(2-hydroxycycloheptyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 104282505
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 104956902
N-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 106122220

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 43508876) is N-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is IYTPESUUTUAUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-10-4-2-9(3-5-10)14-11(17)8-15-7-1-6-13-12(15)18/h1,6-7,9-10,16H,2-5,8H2,(H,14,17).
What are the key properties of N-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 43508876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).