1-ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane

C14H22N4 — CID 118742701

IUPAC1-ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
SMILESCCN1CCCC12CCCN(c1ncccn1)C2
InChIInChI=1S/C14H22N4/c1-2-18-11-4-7-14(18)6-3-10-17(12-14)13-15-8-5-9-16-13/h5,8-9H,2-4,6-7,10-12H2,1H3
InChIKeyRKKWESKZFHITEB-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.93
Rot. Bonds2

About 1-ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane

1-ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane (PubChem CID 118742701) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
PubChem CID118742701
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
SMILESCCN1CCCC12CCCN(c1ncccn1)C2
InChIInChI=1S/C14H22N4/c1-2-18-11-4-7-14(18)6-3-10-17(12-14)13-15-8-5-9-16-13/h5,8-9H,2-4,6-7,10-12H2,1H3
InChIKeyRKKWESKZFHITEB-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane?
The IUPAC name of 1-ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane (CID 118742701) is 1-ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane.
What is the SMILES notation for 1-ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane?
The canonical SMILES for 1-ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane is CCN1CCCC12CCCN(c1ncccn1)C2.
What is the InChIKey of 1-ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane?
The InChIKey is RKKWESKZFHITEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-18-11-4-7-14(18)6-3-10-17(12-14)13-15-8-5-9-16-13/h5,8-9H,2-4,6-7,10-12H2,1H3.
What are the key properties of 1-ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane?
1-ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane has a molecular weight of 246.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118742701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).