8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

C17H24N6O — CID 118743791

IUPAC8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1[nH]cnc1CN1CCC2(CC1)CC(Nc1ncccn1)CO2
InChIInChI=1S/C17H24N6O/c1-13-15(21-12-20-13)10-23-7-3-17(4-8-23)9-14(11-24-17)22-16-18-5-2-6-19-16/h2,5-6,12,14H,3-4,7-11H2,1H3,(H,20,21)(H,18,19,22)
InChIKeyXTWZGPXNTUDTHM-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.74
Rot. Bonds4

About 8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118743791) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118743791
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1[nH]cnc1CN1CCC2(CC1)CC(Nc1ncccn1)CO2
InChIInChI=1S/C17H24N6O/c1-13-15(21-12-20-13)10-23-7-3-17(4-8-23)9-14(11-24-17)22-16-18-5-2-6-19-16/h2,5-6,12,14H,3-4,7-11H2,1H3,(H,20,21)(H,18,19,22)
InChIKeyXTWZGPXNTUDTHM-UHFFFAOYSA-N
XLogP1.74
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-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 8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118743791) is 8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is Cc1[nH]cnc1CN1CCC2(CC1)CC(Nc1ncccn1)CO2.
What is the InChIKey of 8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is XTWZGPXNTUDTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-15(21-12-20-13)10-23-7-3-17(4-8-23)9-14(11-24-17)22-16-18-5-2-6-19-16/h2,5-6,12,14H,3-4,7-11H2,1H3,(H,20,21)(H,18,19,22).
What are the key properties of 8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 328.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methyl-1H-imidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118743791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).