8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

C19H25N5O — CID 131659289

IUPAC8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCCc1cnc(N2CCC3(CC2)CC(Nc2ccccn2)CO3)nc1
InChIInChI=1S/C19H25N5O/c1-2-15-12-21-18(22-13-15)24-9-6-19(7-10-24)11-16(14-25-19)23-17-5-3-4-8-20-17/h3-5,8,12-13,16H,2,6-7,9-11,14H2,1H3,(H,20,23)
InChIKeyXEPWQZUYZFUYSK-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.67
Rot. Bonds4

About 8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 131659289) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID131659289
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCCc1cnc(N2CCC3(CC2)CC(Nc2ccccn2)CO3)nc1
InChIInChI=1S/C19H25N5O/c1-2-15-12-21-18(22-13-15)24-9-6-19(7-10-24)11-16(14-25-19)23-17-5-3-4-8-20-17/h3-5,8,12-13,16H,2,6-7,9-11,14H2,1H3,(H,20,23)
InChIKeyXEPWQZUYZFUYSK-UHFFFAOYSA-N
XLogP2.67
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,5S)-7-(5-ethylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818265
(3S,5R)-7-(5-ethylpyrimidin-2-yl)-N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124521736
7-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134076709
(3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97488035
(5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97475455
8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131649217
(3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778012
9-(5-ethylpyrimidin-2-yl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450937
8-(oxolan-3-ylmethyl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 134078983
2-(dimethylamino)-1-[3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 134076712
N-pyridin-2-yl-8-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155835589
(3R,5R)-7-cyclopropylsulfonyl-N-pyridin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394531

Frequently Asked Questions

What is the IUPAC name of 8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 131659289) is 8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is CCc1cnc(N2CCC3(CC2)CC(Nc2ccccn2)CO3)nc1.
What is the InChIKey of 8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is XEPWQZUYZFUYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-15-12-21-18(22-13-15)24-9-6-19(7-10-24)11-16(14-25-19)23-17-5-3-4-8-20-17/h3-5,8,12-13,16H,2,6-7,9-11,14H2,1H3,(H,20,23).
What are the key properties of 8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 339.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 131659289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).