(4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol

C15H22FN3O — CID 135114491

IUPAC(4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol
SMILESCCc1ncnc(N2CCC[C@@]3(CCC[C@H]3O)C2)c1F
InChIInChI=1S/C15H22FN3O/c1-2-11-13(16)14(18-10-17-11)19-8-4-7-15(9-19)6-3-5-12(15)20/h10,12,20H,2-9H2,1H3/t12-,15+/m1/s1
InChIKeySQLCBGPCHTTWEZ-DOMZBBRYSA-N
MW279.36 g/mol
LogP2.31
Rot. Bonds2

About (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol

(4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol (PubChem CID 135114491) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol
PubChem CID135114491
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name(4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol
SMILESCCc1ncnc(N2CCC[C@@]3(CCC[C@H]3O)C2)c1F
InChIInChI=1S/C15H22FN3O/c1-2-11-13(16)14(18-10-17-11)19-8-4-7-15(9-19)6-3-5-12(15)20/h10,12,20H,2-9H2,1H3/t12-,15+/m1/s1
InChIKeySQLCBGPCHTTWEZ-DOMZBBRYSA-N
XLogP2.31
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol (CID 135114491) is (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol is CCc1ncnc(N2CCC[C@@]3(CCC[C@H]3O)C2)c1F.
What is the InChIKey of (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol?
The InChIKey is SQLCBGPCHTTWEZ-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-11-13(16)14(18-10-17-11)19-8-4-7-15(9-19)6-3-5-12(15)20/h10,12,20H,2-9H2,1H3/t12-,15+/m1/s1.
What are the key properties of (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol?
(4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol has a molecular weight of 279.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 135114491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).