(6S,11S)-2-(4-amino-5-fluoropyrimidin-2-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol

C14H22FN5O — CID 163309942

IUPAC(6S,11S)-2-(4-amino-5-fluoropyrimidin-2-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol
SMILESCN1CC[C@H](O)[C@@]2(CCCN(c3ncc(F)c(N)n3)C2)C1
InChIInChI=1S/C14H22FN5O/c1-19-6-3-11(21)14(8-19)4-2-5-20(9-14)13-17-7-10(15)12(16)18-13/h7,11,21H,2-6,8-9H2,1H3,(H2,16,17,18)/t11-,14-/m0/s1
InChIKeyZACYJCJXNFXQDW-FZMZJTMJSA-N
MW295.36 g/mol
LogP0.48
Rot. Bonds1

About (6S,11S)-2-(4-amino-5-fluoropyrimidin-2-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol

(6S,11S)-2-(4-amino-5-fluoropyrimidin-2-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol (PubChem CID 163309942) has the molecular formula C14H22FN5O and a molecular weight of 295.36 g/mol. Its IUPAC name is (6S,11S)-2-(4-amino-5-fluoropyrimidin-2-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol.

Molecular Properties

Compound Name(6S,11S)-2-(4-amino-5-fluoropyrimidin-2-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol
PubChem CID163309942
Molecular FormulaC14H22FN5O
Molecular Weight295.36 g/mol
Exact Mass295.18
IUPAC Name(6S,11S)-2-(4-amino-5-fluoropyrimidin-2-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol
SMILESCN1CC[C@H](O)[C@@]2(CCCN(c3ncc(F)c(N)n3)C2)C1
InChIInChI=1S/C14H22FN5O/c1-19-6-3-11(21)14(8-19)4-2-5-20(9-14)13-17-7-10(15)12(16)18-13/h7,11,21H,2-6,8-9H2,1H3,(H2,16,17,18)/t11-,14-/m0/s1
InChIKeyZACYJCJXNFXQDW-FZMZJTMJSA-N
XLogP0.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S,11S)-2-(4-amino-5-fluoropyrimidin-2-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol?
The IUPAC name of (6S,11S)-2-(4-amino-5-fluoropyrimidin-2-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol (CID 163309942) is (6S,11S)-2-(4-amino-5-fluoropyrimidin-2-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol.
What is the SMILES notation for (6S,11S)-2-(4-amino-5-fluoropyrimidin-2-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol?
The canonical SMILES for (6S,11S)-2-(4-amino-5-fluoropyrimidin-2-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol is CN1CC[C@H](O)[C@@]2(CCCN(c3ncc(F)c(N)n3)C2)C1.
What is the InChIKey of (6S,11S)-2-(4-amino-5-fluoropyrimidin-2-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol?
The InChIKey is ZACYJCJXNFXQDW-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H22FN5O/c1-19-6-3-11(21)14(8-19)4-2-5-20(9-14)13-17-7-10(15)12(16)18-13/h7,11,21H,2-6,8-9H2,1H3,(H2,16,17,18)/t11-,14-/m0/s1.
What are the key properties of (6S,11S)-2-(4-amino-5-fluoropyrimidin-2-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol?
(6S,11S)-2-(4-amino-5-fluoropyrimidin-2-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol has a molecular weight of 295.36 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,11S)-2-(4-amino-5-fluoropyrimidin-2-yl)-8-methyl-2,8-diazaspiro[5.5]undecan-11-ol is sourced from PubChem (CID 163309942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).