1-[(5-methyl-1H-imidazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane

C17H24N6 — CID 56911437

IUPAC1-[(5-methyl-1H-imidazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESCc1[nH]cnc1CN1CCCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C17H24N6/c1-14-15(21-13-20-14)12-23-9-2-4-17(23)5-10-22(11-6-17)16-18-7-3-8-19-16/h3,7-8,13H,2,4-6,9-12H2,1H3,(H,20,21)
InChIKeyVLIZACIIKIOHEY-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.14
Rot. Bonds3

About 1-[(5-methyl-1H-imidazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane

1-[(5-methyl-1H-imidazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (PubChem CID 56911437) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
PubChem CID56911437
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESCc1[nH]cnc1CN1CCCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C17H24N6/c1-14-15(21-13-20-14)12-23-9-2-4-17(23)5-10-22(11-6-17)16-18-7-3-8-19-16/h3,7-8,13H,2,4-6,9-12H2,1H3,(H,20,21)
InChIKeyVLIZACIIKIOHEY-UHFFFAOYSA-N
XLogP2.14
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (CID 56911437) is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is Cc1[nH]cnc1CN1CCCC12CCN(c1ncccn1)CC2.
What is the InChIKey of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The InChIKey is VLIZACIIKIOHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-14-15(21-13-20-14)12-23-9-2-4-17(23)5-10-22(11-6-17)16-18-7-3-8-19-16/h3,7-8,13H,2,4-6,9-12H2,1H3,(H,20,21).
What are the key properties of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
1-[(5-methyl-1H-imidazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane has a molecular weight of 312.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 56911437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).