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

C17H24N6O — CID 97486672

IUPAC(3S,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+/m0/s1
InChIKeyHSRVEPUIZZWXEP-WMLDXEAASA-N
MW328.42 g/mol
LogP1.08
Rot. Bonds4

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

(3S,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine (PubChem CID 97486672) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (3S,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(3S,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
PubChem CID97486672
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(3S,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+/m0/s1
InChIKeyHSRVEPUIZZWXEP-WMLDXEAASA-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 (3S,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

Related Compounds

3-(Methoxymethyl)-8-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118743452
8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118743791
N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine;2,2,2-trifluoroacetic acid
CID 155852531
7-[(1-methylimidazol-2-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine;2,2,2-trifluoroacetic acid
CID 155855509
N-methyl-7-[(1-methylimidazol-2-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine;2,2,2-trifluoroacetic acid
CID 155857602
7-(5-Ethylpyrimidin-2-yl)-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155863310
(5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
CID 97475135
7-(4-Methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane
CID 123222360
3-[(3-Bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
CID 23933374
4-Ethyl-3-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
CID 24076258
2-pyrrolidin-1-yl-5-{1-[1-(tetrahydrofuran-2-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl}pyrimidine
CID 70714785
5-[1-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine
CID 96368036

Frequently Asked Questions

What is the IUPAC name of (3S,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 (3S,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine (CID 97486672) is (3S,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 (3S,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 (3S,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 (3S,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-WMLDXEAASA-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+/m0/s1.
What are the key properties of (3S,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine?
(3S,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 (3S,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 97486672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).