N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide

C14H21N3O2 — CID 90634640

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C14H21N3O2/c1-9-8-10(2)16-14(15-9)19-13-6-4-12(5-7-13)17-11(3)18/h8,12-13H,4-7H2,1-3H3,(H,17,18)
InChIKeyDTYDWWFFFVLXNI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.92
Rot. Bonds3

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide (PubChem CID 90634640) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
PubChem CID90634640
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C14H21N3O2/c1-9-8-10(2)16-14(15-9)19-13-6-4-12(5-7-13)17-11(3)18/h8,12-13H,4-7H2,1-3H3,(H,17,18)
InChIKeyDTYDWWFFFVLXNI-UHFFFAOYSA-N
XLogP1.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide (CID 90634640) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide is CC(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide?
The InChIKey is DTYDWWFFFVLXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-8-10(2)16-14(15-9)19-13-6-4-12(5-7-13)17-11(3)18/h8,12-13H,4-7H2,1-3H3,(H,17,18).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide is sourced from PubChem (CID 90634640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).