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

C19H28N6 — CID 70782561

IUPAC1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESCCCn1ccnc1CN1CCCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C19H28N6/c1-2-11-23-15-10-20-17(23)16-25-12-3-5-19(25)6-13-24(14-7-19)18-21-8-4-9-22-18/h4,8-10,15H,2-3,5-7,11-14,16H2,1H3
InChIKeyUQJHSYXJTMNXSM-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.72
Rot. Bonds5

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

1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (PubChem CID 70782561) has the molecular formula C19H28N6 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
PubChem CID70782561
Molecular FormulaC19H28N6
Molecular Weight340.47 g/mol
Exact Mass340.24
IUPAC Name1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESCCCn1ccnc1CN1CCCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C19H28N6/c1-2-11-23-15-10-20-17(23)16-25-12-3-5-19(25)6-13-24(14-7-19)18-21-8-4-9-22-18/h4,8-10,15H,2-3,5-7,11-14,16H2,1H3
InChIKeyUQJHSYXJTMNXSM-UHFFFAOYSA-N
XLogP2.72
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline
CID 70779960
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 70752815
5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 50972370
3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol
CID 70704715
1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 95871623
2-methyl-3-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrazine
CID 56701973
3-(phenoxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
CID 132776861
1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97451334
(2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine
CID 124752379
5-propyl-5-azaspiro[3.4]octane
CID 131103663
butane;2-piperazin-1-ylpyrimidine
CID 144912345

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (CID 70782561) is 1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is CCCn1ccnc1CN1CCCC12CCN(c1ncccn1)CC2.
What is the InChIKey of 1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The InChIKey is UQJHSYXJTMNXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-2-11-23-15-10-20-17(23)16-25-12-3-5-19(25)6-13-24(14-7-19)18-21-8-4-9-22-18/h4,8-10,15H,2-3,5-7,11-14,16H2,1H3.
What are the key properties of 1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane has a molecular weight of 340.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 70782561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).