8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone

C19H24N6O2 — CID 139580309

IUPAC8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone
SMILESCC(Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cncnc1
InChIInChI=1S/C19H24N6O2/c1-14(15-8-20-13-21-9-15)24-18-22-10-16(11-23-18)17(26)25-5-2-19(12-25)3-6-27-7-4-19/h8-11,13-14H,2-7,12H2,1H3,(H,22,23,24)
InChIKeyAKJYUFUVCGMGEN-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.08
Rot. Bonds4

About 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone

8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone (PubChem CID 139580309) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone
PubChem CID139580309
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone
SMILESCC(Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cncnc1
InChIInChI=1S/C19H24N6O2/c1-14(15-8-20-13-21-9-15)24-18-22-10-16(11-23-18)17(26)25-5-2-19(12-25)3-6-27-7-4-19/h8-11,13-14H,2-7,12H2,1H3,(H,22,23,24)
InChIKeyAKJYUFUVCGMGEN-UHFFFAOYSA-N
XLogP2.08
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-phenylethylamino)pyrimidin-5-yl]methanone
CID 170310115
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1S)-1-(2,4,6-trifluorophenyl)ethyl]amino]pyrimidin-5-yl]methanone
CID 170311691
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone
CID 134176867
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 134177597
(2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 134177581
morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 134177712
[2-[methyl-[1-[(E)-1-(methylideneamino)prop-1-en-2-yl]cyclopropyl]amino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 134177598
[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249920
[2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109256499
N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71990563
[2-[[(5R)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]pyrimidin-5-yl]-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 167014228
1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 134177590

Frequently Asked Questions

What is the IUPAC name of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone (CID 139580309) is 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone is CC(Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cncnc1.
What is the InChIKey of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone?
The InChIKey is AKJYUFUVCGMGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-14(15-8-20-13-21-9-15)24-18-22-10-16(11-23-18)17(26)25-5-2-19(12-25)3-6-27-7-4-19/h8-11,13-14H,2-7,12H2,1H3,(H,22,23,24).
What are the key properties of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone?
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 139580309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).