(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane

C12H16F2N4 — CID 97399379

IUPAC(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESFC1(F)CCNC[C@]12CCN(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/t11-/m0/s1
InChIKeySAMKBMJSKJFASG-NSHDSACASA-N
MW254.28 g/mol
LogP1.30
Rot. Bonds1

About (5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane

(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 97399379) has the molecular formula C12H16F2N4 and a molecular weight of 254.28 g/mol. Its IUPAC name is (5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID97399379
Molecular FormulaC12H16F2N4
Molecular Weight254.28 g/mol
Exact Mass254.13
IUPAC Name(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESFC1(F)CCNC[C@]12CCN(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/t11-/m0/s1
InChIKeySAMKBMJSKJFASG-NSHDSACASA-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

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Related Compounds

6,6-difluoro-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 121229504
6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane
CID 129230219
6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 131655840
2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 131649680
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
(5S)-6,6-difluoro-2-propan-2-yl-2,9-diazaspiro[4.5]decane;methane
CID 167531970
1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
CID 131638198
(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97398278
(5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane
CID 170131044
3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 63139406
2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine
CID 130934211
2-methyl-7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 171070249

Frequently Asked Questions

What is the IUPAC name of (5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (CID 97399379) is (5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is FC1(F)CCNC[C@]12CCN(c1ncccn1)C2.
What is the InChIKey of (5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is SAMKBMJSKJFASG-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of (5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
(5S)-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 (5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97399379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).