6-(cycloheptylamino)-1H-pyrimidine-2,4-dione

C11H17N3O2 — CID 2196772

IUPAC6-(cycloheptylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NC2CCCCCC2)[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c15-10-7-9(13-11(16)14-10)12-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H3,12,13,14,15,16)
InChIKeyMLHAILAUTHONAR-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.20
Rot. Bonds2

About 6-(cycloheptylamino)-1H-pyrimidine-2,4-dione

6-(cycloheptylamino)-1H-pyrimidine-2,4-dione (PubChem CID 2196772) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-(cycloheptylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(cycloheptylamino)-1H-pyrimidine-2,4-dione
PubChem CID2196772
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-(cycloheptylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NC2CCCCCC2)[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c15-10-7-9(13-11(16)14-10)12-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H3,12,13,14,15,16)
InChIKeyMLHAILAUTHONAR-UHFFFAOYSA-N
XLogP1.20
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(cycloheptylamino)-1H-pyrimidine-2,4-dione (CID 2196772) is 6-(cycloheptylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(cycloheptylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(cycloheptylamino)-1H-pyrimidine-2,4-dione is O=c1cc(NC2CCCCCC2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(cycloheptylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is MLHAILAUTHONAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-10-7-9(13-11(16)14-10)12-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H3,12,13,14,15,16).
What are the key properties of 6-(cycloheptylamino)-1H-pyrimidine-2,4-dione?
6-(cycloheptylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2196772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).