8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane

C16H20N6O — CID 134077831

IUPAC8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCCC3(CN(c4ccncn4)CCO3)C2)nc1
InChIInChI=1S/C16H20N6O/c1-4-16(12-22(8-1)15-18-5-2-6-19-15)11-21(9-10-23-16)14-3-7-17-13-20-14/h2-3,5-7,13H,1,4,8-12H2
InChIKeyXSOLAFIZQNWKAM-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.14
Rot. Bonds2

About 8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane

8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 134077831) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID134077831
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCCC3(CN(c4ccncn4)CCO3)C2)nc1
InChIInChI=1S/C16H20N6O/c1-4-16(12-22(8-1)15-18-5-2-6-19-15)11-21(9-10-23-16)14-3-7-17-13-20-14/h2-3,5-7,13H,1,4,8-12H2
InChIKeyXSOLAFIZQNWKAM-UHFFFAOYSA-N
XLogP1.14
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(6S)-8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372435
3-(4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)benzonitrile
CID 131643298
(6R)-4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396480
4-(pyridin-4-ylmethyl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134072499
(6R)-4-(5-ethylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492146
8-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131643632
(6S)-4-[(4-fluorophenyl)methyl]-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396493
8-pyridin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131646115
(6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396447
6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane
CID 130685819
(6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492059
(6S)-8-pyrazin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372432

Frequently Asked Questions

What is the IUPAC name of 8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 134077831) is 8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane is c1cnc(N2CCCC3(CN(c4ccncn4)CCO3)C2)nc1.
What is the InChIKey of 8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is XSOLAFIZQNWKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-4-16(12-22(8-1)15-18-5-2-6-19-15)11-21(9-10-23-16)14-3-7-17-13-20-14/h2-3,5-7,13H,1,4,8-12H2.
What are the key properties of 8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 312.38 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 134077831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).