(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine

C19H25N5O2 — CID 97474145

IUPAC(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESCOc1ncccc1CN1CC[C@@]2(C[C@H](Nc3ncccn3)CCO2)C1
InChIInChI=1S/C19H25N5O2/c1-25-17-15(4-2-7-20-17)13-24-10-6-19(14-24)12-16(5-11-26-19)23-18-21-8-3-9-22-18/h2-4,7-9,16H,5-6,10-14H2,1H3,(H,21,22,23)/t16-,19-/m1/s1
InChIKeyBHZOEJJCNKBDSR-VQIMIIECSA-N
MW355.44 g/mol
LogP2.12
Rot. Bonds5

About (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine

(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine (PubChem CID 97474145) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine.

Molecular Properties

Compound Name(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
PubChem CID97474145
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESCOc1ncccc1CN1CC[C@@]2(C[C@H](Nc3ncccn3)CCO2)C1
InChIInChI=1S/C19H25N5O2/c1-25-17-15(4-2-7-20-17)13-24-10-6-19(14-24)12-16(5-11-26-19)23-18-21-8-3-9-22-18/h2-4,7-9,16H,5-6,10-14H2,1H3,(H,21,22,23)/t16-,19-/m1/s1
InChIKeyBHZOEJJCNKBDSR-VQIMIIECSA-N
XLogP2.12
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The IUPAC name of (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine (CID 97474145) is (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine.
What is the SMILES notation for (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The canonical SMILES for (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine is COc1ncccc1CN1CC[C@@]2(C[C@H](Nc3ncccn3)CCO2)C1.
What is the InChIKey of (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The InChIKey is BHZOEJJCNKBDSR-VQIMIIECSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-25-17-15(4-2-7-20-17)13-24-10-6-19(14-24)12-16(5-11-26-19)23-18-21-8-3-9-22-18/h2-4,7-9,16H,5-6,10-14H2,1H3,(H,21,22,23)/t16-,19-/m1/s1.
What are the key properties of (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine has a molecular weight of 355.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine is sourced from PubChem (CID 97474145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).