N-cyclohexyl-2-(6-oxopyrimidin-1-yl)acetamide

C12H17N3O2 — CID 95921860

IUPACN-cyclohexyl-2-(6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnccc1=O)NC1CCCCC1
InChIInChI=1S/C12H17N3O2/c16-11(14-10-4-2-1-3-5-10)8-15-9-13-7-6-12(15)17/h6-7,9-10H,1-5,8H2,(H,14,16)
InChIKeyRYYASTJFSCSVBS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.69
Rot. Bonds3

About N-cyclohexyl-2-(6-oxopyrimidin-1-yl)acetamide

N-cyclohexyl-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 95921860) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-cyclohexyl-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID95921860
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-cyclohexyl-2-(6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnccc1=O)NC1CCCCC1
InChIInChI=1S/C12H17N3O2/c16-11(14-10-4-2-1-3-5-10)8-15-9-13-7-6-12(15)17/h6-7,9-10H,1-5,8H2,(H,14,16)
InChIKeyRYYASTJFSCSVBS-UHFFFAOYSA-N
XLogP0.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(6-oxopyrimidin-1-yl)acetamide (CID 95921860) is N-cyclohexyl-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(6-oxopyrimidin-1-yl)acetamide is O=C(Cn1cnccc1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is RYYASTJFSCSVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11(14-10-4-2-1-3-5-10)8-15-9-13-7-6-12(15)17/h6-7,9-10H,1-5,8H2,(H,14,16).
What are the key properties of N-cyclohexyl-2-(6-oxopyrimidin-1-yl)acetamide?
N-cyclohexyl-2-(6-oxopyrimidin-1-yl)acetamide has a molecular weight of 235.29 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 95921860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).