5-(methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

C8H11N3O — CID 83861734

IUPAC5-(methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESCNC1CCc2[nH]c(=O)ncc21
InChIInChI=1S/C8H11N3O/c1-9-6-2-3-7-5(6)4-10-8(12)11-7/h4,6,9H,2-3H2,1H3,(H,10,11,12)
InChIKeyOKQHGZSSCFLCIF-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.02
Rot. Bonds1

About 5-(methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

5-(methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (PubChem CID 83861734) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-(methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name5-(methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
PubChem CID83861734
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-(methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESCNC1CCc2[nH]c(=O)ncc21
InChIInChI=1S/C8H11N3O/c1-9-6-2-3-7-5(6)4-10-8(12)11-7/h4,6,9H,2-3H2,1H3,(H,10,11,12)
InChIKeyOKQHGZSSCFLCIF-UHFFFAOYSA-N
XLogP-0.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The IUPAC name of 5-(methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (CID 83861734) is 5-(methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 5-(methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 5-(methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is CNC1CCc2[nH]c(=O)ncc21.
What is the InChIKey of 5-(methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The InChIKey is OKQHGZSSCFLCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-9-6-2-3-7-5(6)4-10-8(12)11-7/h4,6,9H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 5-(methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
5-(methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one has a molecular weight of 165.20 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 83861734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).