(3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine

C17H24N6O — CID 98778072

IUPAC(3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESCN(c1ncccn1)[C@H]1CO[C@]2(CCN(Cc3cncn3C)C2)C1
InChIInChI=1S/C17H24N6O/c1-21-13-18-9-15(21)10-23-7-4-17(12-23)8-14(11-24-17)22(2)16-19-5-3-6-20-16/h3,5-6,9,13-14H,4,7-8,10-12H2,1-2H3/t14-,17-/m1/s1
InChIKeyHSRVEPUIZZWXEP-RHSMWYFYSA-N
MW328.42 g/mol
LogP1.08
Rot. Bonds4

About (3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine

(3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine (PubChem CID 98778072) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine.

Molecular Properties

Compound Name(3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
PubChem CID98778072
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESCN(c1ncccn1)[C@H]1CO[C@]2(CCN(Cc3cncn3C)C2)C1
InChIInChI=1S/C17H24N6O/c1-21-13-18-9-15(21)10-23-7-4-17(12-23)8-14(11-24-17)22(2)16-19-5-3-6-20-16/h3,5-6,9,13-14H,4,7-8,10-12H2,1-2H3/t14-,17-/m1/s1
InChIKeyHSRVEPUIZZWXEP-RHSMWYFYSA-N
XLogP1.08
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-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 (3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The IUPAC name of (3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine (CID 98778072) is (3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine.
What is the SMILES notation for (3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The canonical SMILES for (3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine is CN(c1ncccn1)[C@H]1CO[C@]2(CCN(Cc3cncn3C)C2)C1.
What is the InChIKey of (3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The InChIKey is HSRVEPUIZZWXEP-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-21-13-18-9-15(21)10-23-7-4-17(12-23)8-14(11-24-17)22(2)16-19-5-3-6-20-16/h3,5-6,9,13-14H,4,7-8,10-12H2,1-2H3/t14-,17-/m1/s1.
What are the key properties of (3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
(3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine has a molecular weight of 328.42 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine is sourced from PubChem (CID 98778072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).