3-(5-chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one

C14H19ClN4O — CID 56710411

IUPAC3-(5-chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESO=C1CCC2(CCN1)CCN(c1ncc(Cl)cn1)CC2
InChIInChI=1S/C14H19ClN4O/c15-11-9-17-13(18-10-11)19-7-4-14(5-8-19)2-1-12(20)16-6-3-14/h9-10H,1-8H2,(H,16,20)
InChIKeyHEOKZEHDKQNMOU-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.02
Rot. Bonds1

About 3-(5-chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one

3-(5-chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56710411) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 3-(5-chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-(5-chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56710411
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name3-(5-chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESO=C1CCC2(CCN1)CCN(c1ncc(Cl)cn1)CC2
InChIInChI=1S/C14H19ClN4O/c15-11-9-17-13(18-10-11)19-7-4-14(5-8-19)2-1-12(20)16-6-3-14/h9-10H,1-8H2,(H,16,20)
InChIKeyHEOKZEHDKQNMOU-UHFFFAOYSA-N
XLogP2.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-(5-chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one (CID 56710411) is 3-(5-chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-(5-chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-(5-chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one is O=C1CCC2(CCN1)CCN(c1ncc(Cl)cn1)CC2.
What is the InChIKey of 3-(5-chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is HEOKZEHDKQNMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c15-11-9-17-13(18-10-11)19-7-4-14(5-8-19)2-1-12(20)16-6-3-14/h9-10H,1-8H2,(H,16,20).
What are the key properties of 3-(5-chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one?
3-(5-chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 294.79 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56710411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).