5-[(cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H23N3O2 — CID 28646704

IUPAC5-[(cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNC2CCCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H23N3O2/c1-16-10-11(13(18)17(2)14(16)19)9-15-12-7-5-3-4-6-8-12/h10,12,15H,3-9H2,1-2H3
InChIKeyRHLOQUMVMIQTLP-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.90
Rot. Bonds3

About 5-[(cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[(cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 28646704) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[(cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID28646704
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-[(cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNC2CCCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H23N3O2/c1-16-10-11(13(18)17(2)14(16)19)9-15-12-7-5-3-4-6-8-12/h10,12,15H,3-9H2,1-2H3
InChIKeyRHLOQUMVMIQTLP-UHFFFAOYSA-N
XLogP0.90
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 28646704) is 5-[(cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNC2CCCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RHLOQUMVMIQTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16-10-11(13(18)17(2)14(16)19)9-15-12-7-5-3-4-6-8-12/h10,12,15H,3-9H2,1-2H3.
What are the key properties of 5-[(cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 265.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cycloheptylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 28646704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).