N-(4-cyclohepta-1,3,5,6-tetraen-1-yl-5,6-dimethylpyrimidin-2-yl)acetamide

C15H15N3O — CID 176529910

IUPACN-(4-cyclohepta-1,3,5,6-tetraen-1-yl-5,6-dimethylpyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc(C)c(C)c(C2=CC=CC=C=C2)n1
InChIInChI=1S/C15H15N3O/c1-10-11(2)16-15(17-12(3)19)18-14(10)13-8-6-4-5-7-9-13/h4-6,8-9H,1-3H3,(H,16,17,18,19)
InChIKeyTXEHBFNCPWIPRA-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.72
Rot. Bonds2

About N-(4-cyclohepta-1,3,5,6-tetraen-1-yl-5,6-dimethylpyrimidin-2-yl)acetamide

N-(4-cyclohepta-1,3,5,6-tetraen-1-yl-5,6-dimethylpyrimidin-2-yl)acetamide (PubChem CID 176529910) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(4-cyclohepta-1,3,5,6-tetraen-1-yl-5,6-dimethylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyclohepta-1,3,5,6-tetraen-1-yl-5,6-dimethylpyrimidin-2-yl)acetamide
PubChem CID176529910
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-(4-cyclohepta-1,3,5,6-tetraen-1-yl-5,6-dimethylpyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc(C)c(C)c(C2=CC=CC=C=C2)n1
InChIInChI=1S/C15H15N3O/c1-10-11(2)16-15(17-12(3)19)18-14(10)13-8-6-4-5-7-9-13/h4-6,8-9H,1-3H3,(H,16,17,18,19)
InChIKeyTXEHBFNCPWIPRA-UHFFFAOYSA-N
XLogP2.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohepta-1,3,5,6-tetraen-1-yl-5,6-dimethylpyrimidin-2-yl)acetamide?
The IUPAC name of N-(4-cyclohepta-1,3,5,6-tetraen-1-yl-5,6-dimethylpyrimidin-2-yl)acetamide (CID 176529910) is N-(4-cyclohepta-1,3,5,6-tetraen-1-yl-5,6-dimethylpyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(4-cyclohepta-1,3,5,6-tetraen-1-yl-5,6-dimethylpyrimidin-2-yl)acetamide?
The canonical SMILES for N-(4-cyclohepta-1,3,5,6-tetraen-1-yl-5,6-dimethylpyrimidin-2-yl)acetamide is CC(=O)Nc1nc(C)c(C)c(C2=CC=CC=C=C2)n1.
What is the InChIKey of N-(4-cyclohepta-1,3,5,6-tetraen-1-yl-5,6-dimethylpyrimidin-2-yl)acetamide?
The InChIKey is TXEHBFNCPWIPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-11(2)16-15(17-12(3)19)18-14(10)13-8-6-4-5-7-9-13/h4-6,8-9H,1-3H3,(H,16,17,18,19).
What are the key properties of N-(4-cyclohepta-1,3,5,6-tetraen-1-yl-5,6-dimethylpyrimidin-2-yl)acetamide?
N-(4-cyclohepta-1,3,5,6-tetraen-1-yl-5,6-dimethylpyrimidin-2-yl)acetamide has a molecular weight of 253.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohepta-1,3,5,6-tetraen-1-yl-5,6-dimethylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 176529910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).