6-(cyclopentylamino)-1H-pyrimidin-2-one

C9H13N3O — CID 54508674

IUPAC6-(cyclopentylamino)-1H-pyrimidin-2-one
SMILESO=c1nccc(NC2CCCC2)[nH]1
InChIInChI=1S/C9H13N3O/c13-9-10-6-5-8(12-9)11-7-3-1-2-4-7/h5-7H,1-4H2,(H2,10,11,12,13)
InChIKeyYHOCJRUTUCQMDF-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.12
Rot. Bonds2

About 6-(cyclopentylamino)-1H-pyrimidin-2-one

6-(cyclopentylamino)-1H-pyrimidin-2-one (PubChem CID 54508674) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-(cyclopentylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(cyclopentylamino)-1H-pyrimidin-2-one
PubChem CID54508674
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-(cyclopentylamino)-1H-pyrimidin-2-one
SMILESO=c1nccc(NC2CCCC2)[nH]1
InChIInChI=1S/C9H13N3O/c13-9-10-6-5-8(12-9)11-7-3-1-2-4-7/h5-7H,1-4H2,(H2,10,11,12,13)
InChIKeyYHOCJRUTUCQMDF-UHFFFAOYSA-N
XLogP1.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(cyclopentylamino)-1H-pyrimidin-2-one (CID 54508674) is 6-(cyclopentylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(cyclopentylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(cyclopentylamino)-1H-pyrimidin-2-one is O=c1nccc(NC2CCCC2)[nH]1.
What is the InChIKey of 6-(cyclopentylamino)-1H-pyrimidin-2-one?
The InChIKey is YHOCJRUTUCQMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9-10-6-5-8(12-9)11-7-3-1-2-4-7/h5-7H,1-4H2,(H2,10,11,12,13).
What are the key properties of 6-(cyclopentylamino)-1H-pyrimidin-2-one?
6-(cyclopentylamino)-1H-pyrimidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 54508674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).