(1R,3S)-7-(4-aminopyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol

C13H20N4O2 — CID 72861881

IUPAC(1R,3S)-7-(4-aminopyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCO[C@H]1C[C@@H](O)C12CCN(c1nccc(N)n1)CC2
InChIInChI=1S/C13H20N4O2/c1-19-10-8-9(18)13(10)3-6-17(7-4-13)12-15-5-2-11(14)16-12/h2,5,9-10,18H,3-4,6-8H2,1H3,(H2,14,15,16)/t9-,10+/m1/s1
InChIKeyCPOOKFWEWXNQFG-ZJUUUORDSA-N
MW264.33 g/mol
LogP0.43
Rot. Bonds2

About (1R,3S)-7-(4-aminopyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-7-(4-aminopyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol (PubChem CID 72861881) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (1R,3S)-7-(4-aminopyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-7-(4-aminopyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
PubChem CID72861881
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(1R,3S)-7-(4-aminopyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCO[C@H]1C[C@@H](O)C12CCN(c1nccc(N)n1)CC2
InChIInChI=1S/C13H20N4O2/c1-19-10-8-9(18)13(10)3-6-17(7-4-13)12-15-5-2-11(14)16-12/h2,5,9-10,18H,3-4,6-8H2,1H3,(H2,14,15,16)/t9-,10+/m1/s1
InChIKeyCPOOKFWEWXNQFG-ZJUUUORDSA-N
XLogP0.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-7-(4-aminopyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-7-(4-aminopyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol (CID 72861881) is (1R,3S)-7-(4-aminopyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-7-(4-aminopyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-7-(4-aminopyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol is CO[C@H]1C[C@@H](O)C12CCN(c1nccc(N)n1)CC2.
What is the InChIKey of (1R,3S)-7-(4-aminopyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is CPOOKFWEWXNQFG-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-10-8-9(18)13(10)3-6-17(7-4-13)12-15-5-2-11(14)16-12/h2,5,9-10,18H,3-4,6-8H2,1H3,(H2,14,15,16)/t9-,10+/m1/s1.
What are the key properties of (1R,3S)-7-(4-aminopyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-7-(4-aminopyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 264.33 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-7-(4-aminopyrimidin-2-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 72861881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).