6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane

C12H16F2N4 — CID 118739006

IUPAC6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESFC1(F)CCNCC12CCN(c1ncccn1)C2
InChIInChI=1S/C12H16F2N4/c13-12(14)2-6-15-8-11(12)3-7-18(9-11)10-16-4-1-5-17-10/h1,4-5,15H,2-3,6-9H2
InChIKeySAMKBMJSKJFASG-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.30
Rot. Bonds1

About 6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane

6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 118739006) has the molecular formula C12H16F2N4 and a molecular weight of 254.28 g/mol. Its IUPAC name is 6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID118739006
Molecular FormulaC12H16F2N4
Molecular Weight254.28 g/mol
Exact Mass254.13
IUPAC Name6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESFC1(F)CCNCC12CCN(c1ncccn1)C2
InChIInChI=1S/C12H16F2N4/c13-12(14)2-6-15-8-11(12)3-7-18(9-11)10-16-4-1-5-17-10/h1,4-5,15H,2-3,6-9H2
InChIKeySAMKBMJSKJFASG-UHFFFAOYSA-N
XLogP1.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (CID 118739006) is 6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is FC1(F)CCNCC12CCN(c1ncccn1)C2.
What is the InChIKey of 6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is SAMKBMJSKJFASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4/c13-12(14)2-6-15-8-11(12)3-7-18(9-11)10-16-4-1-5-17-10/h1,4-5,15H,2-3,6-9H2.
What are the key properties of 6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 254.28 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118739006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).