(5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane

C17H25FN4O — CID 97450296

IUPAC(5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
SMILESFc1cnc(N2CCC[C@@]3(CCN(C4CCOCC4)C3)C2)nc1
InChIInChI=1S/C17H25FN4O/c18-14-10-19-16(20-11-14)22-6-1-4-17(13-22)5-7-21(12-17)15-2-8-23-9-3-15/h10-11,15H,1-9,12-13H2/t17-/m0/s1
InChIKeyVRRDSLZSFGFBOL-KRWDZBQOSA-N
MW320.41 g/mol
LogP2.09
Rot. Bonds2

About (5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane

(5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane (PubChem CID 97450296) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is (5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
PubChem CID97450296
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC Name(5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
SMILESFc1cnc(N2CCC[C@@]3(CCN(C4CCOCC4)C3)C2)nc1
InChIInChI=1S/C17H25FN4O/c18-14-10-19-16(20-11-14)22-6-1-4-17(13-22)5-7-21(12-17)15-2-8-23-9-3-15/h10-11,15H,1-9,12-13H2/t17-/m0/s1
InChIKeyVRRDSLZSFGFBOL-KRWDZBQOSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane with MolForge

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Related Compounds

N-(3-methoxypropyl)-1-methyl-N-{[2-(1-pyrrolidinyl)-5-pyrimidinyl]methyl}-4-piperidinamine
CID 70769900
2-(5-Methylpyrimidin-2-YL)-9-oxa-2-azaspiro[5.5]undecane
CID 72899435
[1-[5-Fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72916904
8-(Oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97370003
(4R,4aS,7aS)-6-ethyl-1-(5-fluoropyrimidin-2-yl)-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97423170
(4R,4aS,7aS)-6-(cyclopropylmethyl)-1-(5-fluoropyrimidin-2-yl)-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97423186
(4aR,7aS)-6-(cyclopentylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510737
(4aR,7aS)-6-(cyclohexylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510738
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
9-(5-Fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 118739503
9-(Oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 118745309
9-(Oxolan-3-ylmethyl)-3-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecane
CID 118746894

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane (CID 97450296) is (5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane is Fc1cnc(N2CCC[C@@]3(CCN(C4CCOCC4)C3)C2)nc1.
What is the InChIKey of (5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane?
The InChIKey is VRRDSLZSFGFBOL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25FN4O/c18-14-10-19-16(20-11-14)22-6-1-4-17(13-22)5-7-21(12-17)15-2-8-23-9-3-15/h10-11,15H,1-9,12-13H2/t17-/m0/s1.
What are the key properties of (5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane?
(5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane has a molecular weight of 320.41 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 97450296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).