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

C17H24N6 — CID 97397012

IUPAC8-[(1-methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESCn1ccnc1CN1CCC2(CCCN2c2ncccn2)CC1
InChIInChI=1S/C17H24N6/c1-21-13-9-18-15(21)14-22-11-5-17(6-12-22)4-2-10-23(17)16-19-7-3-8-20-16/h3,7-9,13H,2,4-6,10-12,14H2,1H3
InChIKeyUKEHGDITQIDZOZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.85
Rot. Bonds3

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

8-[(1-methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (PubChem CID 97397012) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 8-[(1-methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(1-methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
PubChem CID97397012
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name8-[(1-methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESCn1ccnc1CN1CCC2(CCCN2c2ncccn2)CC1
InChIInChI=1S/C17H24N6/c1-21-13-9-18-15(21)14-22-11-5-17(6-12-22)4-2-10-23(17)16-19-7-3-8-20-16/h3,7-9,13H,2,4-6,10-12,14H2,1H3
InChIKeyUKEHGDITQIDZOZ-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

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(1-methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (CID 97397012) is 8-[(1-methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(1-methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(1-methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is Cn1ccnc1CN1CCC2(CCCN2c2ncccn2)CC1.
What is the InChIKey of 8-[(1-methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The InChIKey is UKEHGDITQIDZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-21-13-9-18-15(21)14-22-11-5-17(6-12-22)4-2-10-23(17)16-19-7-3-8-20-16/h3,7-9,13H,2,4-6,10-12,14H2,1H3.
What are the key properties of 8-[(1-methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
8-[(1-methylimidazol-2-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-[(1-methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97397012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).