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

C10H15N3O — CID 716785

IUPAC2-(cyclohexylamino)-1H-pyrimidin-6-one
SMILESO=c1ccnc(NC2CCCCC2)[nH]1
InChIInChI=1S/C10H15N3O/c14-9-6-7-11-10(13-9)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,11,12,13,14)
InChIKeyKWUBFONNGWFITB-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.51
Rot. Bonds2

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

2-(cyclohexylamino)-1H-pyrimidin-6-one (PubChem CID 716785) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclohexylamino)-1H-pyrimidin-6-one
PubChem CID716785
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(cyclohexylamino)-1H-pyrimidin-6-one
SMILESO=c1ccnc(NC2CCCCC2)[nH]1
InChIInChI=1S/C10H15N3O/c14-9-6-7-11-10(13-9)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,11,12,13,14)
InChIKeyKWUBFONNGWFITB-UHFFFAOYSA-N
XLogP1.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclohexylamino)-1H-pyrimidin-6-one (CID 716785) is 2-(cyclohexylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclohexylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclohexylamino)-1H-pyrimidin-6-one is O=c1ccnc(NC2CCCCC2)[nH]1.
What is the InChIKey of 2-(cyclohexylamino)-1H-pyrimidin-6-one?
The InChIKey is KWUBFONNGWFITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-9-6-7-11-10(13-9)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,11,12,13,14).
What are the key properties of 2-(cyclohexylamino)-1H-pyrimidin-6-one?
2-(cyclohexylamino)-1H-pyrimidin-6-one has a molecular weight of 193.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 716785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).