9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

C19H25N5O — CID 97450937

IUPAC9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCCc1cnc(N2CCC3(CC2)CN(c2ccccn2)CCO3)nc1
InChIInChI=1S/C19H25N5O/c1-2-16-13-21-18(22-14-16)23-9-6-19(7-10-23)15-24(11-12-25-19)17-5-3-4-8-20-17/h3-5,8,13-14H,2,6-7,9-12,15H2,1H3
InChIKeyLSFJEKSEAPDNMF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.31
Rot. Bonds3

About 9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97450937) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97450937
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCCc1cnc(N2CCC3(CC2)CN(c2ccccn2)CCO3)nc1
InChIInChI=1S/C19H25N5O/c1-2-16-13-21-18(22-14-16)23-9-6-19(7-10-23)15-24(11-12-25-19)17-5-3-4-8-20-17/h3-5,8,13-14H,2,6-7,9-12,15H2,1H3
InChIKeyLSFJEKSEAPDNMF-UHFFFAOYSA-N
XLogP2.31
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

(6R)-4-(5-ethylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492146
(6R)-4-(5-ethylpyrimidin-2-yl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396496
9-(2-methoxyethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450950
9-pyridin-2-yl-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479328
8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131659289
(5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472274
8-pyridin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131646115
2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 98587801
(3S,5R)-7-(5-ethylpyrimidin-2-yl)-N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124521736
N-ethyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 110131035
(6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396447
(6R)-4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396480

Frequently Asked Questions

What is the IUPAC name of 9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97450937) is 9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is CCc1cnc(N2CCC3(CC2)CN(c2ccccn2)CCO3)nc1.
What is the InChIKey of 9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is LSFJEKSEAPDNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-16-13-21-18(22-14-16)23-9-6-19(7-10-23)15-24(11-12-25-19)17-5-3-4-8-20-17/h3-5,8,13-14H,2,6-7,9-12,15H2,1H3.
What are the key properties of 9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 339.44 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97450937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).