4-[(5R)-7-(4,6-dimethoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

C20H32N4O3 — CID 91019163

IUPAC4-[(5R)-7-(4,6-dimethoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESCOc1cc(OC)nc(N2CCC[C@]3(CCN(C4CCC(O)CC4)C3)C2)n1
InChIInChI=1S/C20H32N4O3/c1-26-17-12-18(27-2)22-19(21-17)24-10-3-8-20(14-24)9-11-23(13-20)15-4-6-16(25)7-5-15/h12,15-16,25H,3-11,13-14H2,1-2H3/t15?,16?,20-/m1/s1
InChIKeyVYBYYQJQEFMYAV-ALLBUHFWSA-N
MW376.50 g/mol
LogP2.09
Rot. Bonds4

About 4-[(5R)-7-(4,6-dimethoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

4-[(5R)-7-(4,6-dimethoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (PubChem CID 91019163) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[(5R)-7-(4,6-dimethoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5R)-7-(4,6-dimethoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
PubChem CID91019163
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name4-[(5R)-7-(4,6-dimethoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESCOc1cc(OC)nc(N2CCC[C@]3(CCN(C4CCC(O)CC4)C3)C2)n1
InChIInChI=1S/C20H32N4O3/c1-26-17-12-18(27-2)22-19(21-17)24-10-3-8-20(14-24)9-11-23(13-20)15-4-6-16(25)7-5-15/h12,15-16,25H,3-11,13-14H2,1-2H3/t15?,16?,20-/m1/s1
InChIKeyVYBYYQJQEFMYAV-ALLBUHFWSA-N
XLogP2.09
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-7-(4,6-dimethoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[(5R)-7-(4,6-dimethoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (CID 91019163) is 4-[(5R)-7-(4,6-dimethoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5R)-7-(4,6-dimethoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[(5R)-7-(4,6-dimethoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is COc1cc(OC)nc(N2CCC[C@]3(CCN(C4CCC(O)CC4)C3)C2)n1.
What is the InChIKey of 4-[(5R)-7-(4,6-dimethoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The InChIKey is VYBYYQJQEFMYAV-ALLBUHFWSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-26-17-12-18(27-2)22-19(21-17)24-10-3-8-20(14-24)9-11-23(13-20)15-4-6-16(25)7-5-15/h12,15-16,25H,3-11,13-14H2,1-2H3/t15?,16?,20-/m1/s1.
What are the key properties of 4-[(5R)-7-(4,6-dimethoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
4-[(5R)-7-(4,6-dimethoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol has a molecular weight of 376.50 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-7-(4,6-dimethoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 91019163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).