(5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane

C17H22N6 — CID 97484053

IUPAC(5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESCc1ccc(N2CCC[C@]3(CCN(c4ncccn4)C3)C2)nn1
InChIInChI=1S/C17H22N6/c1-14-4-5-15(21-20-14)22-10-2-6-17(12-22)7-11-23(13-17)16-18-8-3-9-19-16/h3-5,8-9H,2,6-7,10-13H2,1H3/t17-/m0/s1
InChIKeyTXBBQUMFPAZPIB-KRWDZBQOSA-N
MW310.40 g/mol
LogP2.07
Rot. Bonds2

About (5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane

(5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 97484053) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is (5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID97484053
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name(5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESCc1ccc(N2CCC[C@]3(CCN(c4ncccn4)C3)C2)nn1
InChIInChI=1S/C17H22N6/c1-14-4-5-15(21-20-14)22-10-2-6-17(12-22)7-11-23(13-17)16-18-8-3-9-19-16/h3-5,8-9H,2,6-7,10-13H2,1H3/t17-/m0/s1
InChIKeyTXBBQUMFPAZPIB-KRWDZBQOSA-N
XLogP2.07
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

(5R)-7-(6-methylpyridazin-3-yl)-2-propyl-2,7-diazaspiro[4.5]decane
CID 97484147
11-methyl-2-(6-methylpyridazin-3-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134072674
2-(6-methylpyridazin-3-yl)-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131640700
7-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131643802
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
2-methyl-7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 171070249
[4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131663457
(5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97450240
2-pyrimidin-2-yl-2-azaspiro[3.3]heptane
CID 118413240
(6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870283
9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 131649510
(6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580750

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (CID 97484053) is (5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is Cc1ccc(N2CCC[C@]3(CCN(c4ncccn4)C3)C2)nn1.
What is the InChIKey of (5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is TXBBQUMFPAZPIB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N6/c1-14-4-5-15(21-20-14)22-10-2-6-17(12-22)7-11-23(13-17)16-18-8-3-9-19-16/h3-5,8-9H,2,6-7,10-13H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
(5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 310.40 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(6-methylpyridazin-3-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97484053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).