(1R,3S)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol

C15H24N4O2 — CID 70780468

IUPAC(1R,3S)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol
SMILESCNc1cc(C)nc(N2CCC3(CC2)[C@H](O)C[C@@H]3OC)n1
InChIInChI=1S/C15H24N4O2/c1-10-8-13(16-2)18-14(17-10)19-6-4-15(5-7-19)11(20)9-12(15)21-3/h8,11-12,20H,4-7,9H2,1-3H3,(H,16,17,18)/t11-,12+/m1/s1
InChIKeySGYNBJQIHFOMIQ-NEPJUHHUSA-N
MW292.38 g/mol
LogP1.19
Rot. Bonds3

About (1R,3S)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol (PubChem CID 70780468) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (1R,3S)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol
PubChem CID70780468
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(1R,3S)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol
SMILESCNc1cc(C)nc(N2CCC3(CC2)[C@H](O)C[C@@H]3OC)n1
InChIInChI=1S/C15H24N4O2/c1-10-8-13(16-2)18-14(17-10)19-6-4-15(5-7-19)11(20)9-12(15)21-3/h8,11-12,20H,4-7,9H2,1-3H3,(H,16,17,18)/t11-,12+/m1/s1
InChIKeySGYNBJQIHFOMIQ-NEPJUHHUSA-N
XLogP1.19
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol (CID 70780468) is (1R,3S)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol is CNc1cc(C)nc(N2CCC3(CC2)[C@H](O)C[C@@H]3OC)n1.
What is the InChIKey of (1R,3S)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is SGYNBJQIHFOMIQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-8-13(16-2)18-14(17-10)19-6-4-15(5-7-19)11(20)9-12(15)21-3/h8,11-12,20H,4-7,9H2,1-3H3,(H,16,17,18)/t11-,12+/m1/s1.
What are the key properties of (1R,3S)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 292.38 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-methoxy-7-[4-methyl-6-(methylamino)pyrimidin-2-yl]-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 70780468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).