3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C10H15N3O — CID 82105228

IUPAC3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESNCCCn1cnc2c(c1=O)CCC2
InChIInChI=1S/C10H15N3O/c11-5-2-6-13-7-12-9-4-1-3-8(9)10(13)14/h7H,1-6,11H2
InChIKeyJZGWNPKIJXFRSX-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.08
Rot. Bonds3

About 3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 82105228) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID82105228
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESNCCCn1cnc2c(c1=O)CCC2
InChIInChI=1S/C10H15N3O/c11-5-2-6-13-7-12-9-4-1-3-8(9)10(13)14/h7H,1-6,11H2
InChIKeyJZGWNPKIJXFRSX-UHFFFAOYSA-N
XLogP0.08
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 82105228) is 3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is NCCCn1cnc2c(c1=O)CCC2.
What is the InChIKey of 3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is JZGWNPKIJXFRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-5-2-6-13-7-12-9-4-1-3-8(9)10(13)14/h7H,1-6,11H2.
What are the key properties of 3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 193.25 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 82105228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).