8-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane

C17H24N6 — CID 97493631

IUPAC8-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESCn1cncc1CN1CCC2(CCCN2c2ncccn2)CC1
InChIInChI=1S/C17H24N6/c1-21-14-18-12-15(21)13-22-10-5-17(6-11-22)4-2-9-23(17)16-19-7-3-8-20-16/h3,7-8,12,14H,2,4-6,9-11,13H2,1H3
InChIKeyYHXCMFRFLDTPBA-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.85
Rot. Bonds3

About 8-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane

8-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (PubChem CID 97493631) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 8-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
PubChem CID97493631
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name8-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESCn1cncc1CN1CCC2(CCCN2c2ncccn2)CC1
InChIInChI=1S/C17H24N6/c1-21-14-18-12-15(21)13-22-10-5-17(6-11-22)4-2-9-23(17)16-19-7-3-8-20-16/h3,7-8,12,14H,2,4-6,9-11,13H2,1H3
InChIKeyYHXCMFRFLDTPBA-UHFFFAOYSA-N
XLogP1.85
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane 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-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (CID 97493631) is 8-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is Cn1cncc1CN1CCC2(CCCN2c2ncccn2)CC1.
What is the InChIKey of 8-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The InChIKey is YHXCMFRFLDTPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-21-14-18-12-15(21)13-22-10-5-17(6-11-22)4-2-9-23(17)16-19-7-3-8-20-16/h3,7-8,12,14H,2,4-6,9-11,13H2,1H3.
What are the key properties of 8-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
8-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane has a molecular weight of 312.42 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97493631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).