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

C13H19N3O3 — CID 65113948

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H19N3O3/c17-11(9-16-8-4-7-14-12(16)18)15-10-13(19)5-2-1-3-6-13/h4,7-8,19H,1-3,5-6,9-10H2,(H,15,17)
InChIKeyAKGNTYAHMQHUTK-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.05
Rot. Bonds4

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

N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 65113948) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID65113948
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H19N3O3/c17-11(9-16-8-4-7-14-12(16)18)15-10-13(19)5-2-1-3-6-13/h4,7-8,19H,1-3,5-6,9-10H2,(H,15,17)
InChIKeyAKGNTYAHMQHUTK-UHFFFAOYSA-N
XLogP0.05
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 65113948) is N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is AKGNTYAHMQHUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-11(9-16-8-4-7-14-12(16)18)15-10-13(19)5-2-1-3-6-13/h4,7-8,19H,1-3,5-6,9-10H2,(H,15,17).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 65113948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).