N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide

C12H17N3O3 — CID 104956902

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H17N3O3/c16-10-5-2-1-4-9(10)14-11(17)8-15-7-3-6-13-12(15)18/h3,6-7,9-10,16H,1-2,4-5,8H2,(H,14,17)/t9-,10-/m0/s1
InChIKeyZLFVVKJLJZFJOH-UWVGGRQHSA-N
MW251.29 g/mol
LogP-0.34
Rot. Bonds3

About N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 104956902) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID104956902
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H17N3O3/c16-10-5-2-1-4-9(10)14-11(17)8-15-7-3-6-13-12(15)18/h3,6-7,9-10,16H,1-2,4-5,8H2,(H,14,17)/t9-,10-/m0/s1
InChIKeyZLFVVKJLJZFJOH-UWVGGRQHSA-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

1-[2-[2-(Hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 43430309
N-(4-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43508876
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 55082267
N-(1-hydroxy-4-methylpentan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 61247201
N-(2-hydroxycyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 62365951
N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 65113948
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-(3-ethyl-2-hydroxypentyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 103770616
N-(2-hydroxy-4-methylpentyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 103771244
N-(6-hydroxyhexyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 103919177
N-(4-hydroxypentan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 104108978

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 104956902) is N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is ZLFVVKJLJZFJOH-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-10-5-2-1-4-9(10)14-11(17)8-15-7-3-6-13-12(15)18/h3,6-7,9-10,16H,1-2,4-5,8H2,(H,14,17)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[(1S,2S)-2-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-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 104956902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).