(1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol

C15H24N4O3 — CID 72858530

IUPAC(1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol
SMILESCC(C)Oc1cc(N2CCC3(CC2)[C@H](O)C[C@@H]3O)nc(N)n1
InChIInChI=1S/C15H24N4O3/c1-9(2)22-13-8-12(17-14(16)18-13)19-5-3-15(4-6-19)10(20)7-11(15)21/h8-11,20-21H,3-7H2,1-2H3,(H2,16,17,18)/t10-,11+
InChIKeyAUMRQPCKRRZKIV-PHIMTYICSA-N
MW308.38 g/mol
LogP0.56
Rot. Bonds3

About (1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol

(1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol (PubChem CID 72858530) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol.

Molecular Properties

Compound Name(1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol
PubChem CID72858530
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol
SMILESCC(C)Oc1cc(N2CCC3(CC2)[C@H](O)C[C@@H]3O)nc(N)n1
InChIInChI=1S/C15H24N4O3/c1-9(2)22-13-8-12(17-14(16)18-13)19-5-3-15(4-6-19)10(20)7-11(15)21/h8-11,20-21H,3-7H2,1-2H3,(H2,16,17,18)/t10-,11+
InChIKeyAUMRQPCKRRZKIV-PHIMTYICSA-N
XLogP0.56
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol?
The IUPAC name of (1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol (CID 72858530) is (1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol.
What is the SMILES notation for (1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol?
The canonical SMILES for (1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol is CC(C)Oc1cc(N2CCC3(CC2)[C@H](O)C[C@@H]3O)nc(N)n1.
What is the InChIKey of (1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol?
The InChIKey is AUMRQPCKRRZKIV-PHIMTYICSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-9(2)22-13-8-12(17-14(16)18-13)19-5-3-15(4-6-19)10(20)7-11(15)21/h8-11,20-21H,3-7H2,1-2H3,(H2,16,17,18)/t10-,11+.
What are the key properties of (1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol?
(1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol has a molecular weight of 308.38 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol is sourced from PubChem (CID 72858530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).