(2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C18H22N4O3 — CID 131663568

IUPAC(2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1occc1C(=O)N1CCC2(CC1)CC(Nc1ncccn1)CO2
InChIInChI=1S/C18H22N4O3/c1-13-15(3-10-24-13)16(23)22-8-4-18(5-9-22)11-14(12-25-18)21-17-19-6-2-7-20-17/h2-3,6-7,10,14H,4-5,8-9,11-12H2,1H3,(H,19,20,21)
InChIKeyMVUJKZCWGMVPER-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.25
Rot. Bonds3

About (2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 131663568) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID131663568
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1occc1C(=O)N1CCC2(CC1)CC(Nc1ncccn1)CO2
InChIInChI=1S/C18H22N4O3/c1-13-15(3-10-24-13)16(23)22-8-4-18(5-9-22)11-14(12-25-18)21-17-19-6-2-7-20-17/h2-3,6-7,10,14H,4-5,8-9,11-12H2,1H3,(H,19,20,21)
InChIKeyMVUJKZCWGMVPER-UHFFFAOYSA-N
XLogP2.25
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylfuran-3-yl)-[(3R,5S)-3-(pyrimidin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97486314
(2-methylfuran-3-yl)-[(3S,5S)-3-(pyrimidin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97486309
N-[(3S)-8-(2-methylfuran-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 97487900
N-[(3R)-8-(2-methylfuran-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 97487902
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(2-methylfuran-3-yl)methanone
CID 97486190
(3-methylfuran-2-yl)-[(4R)-4-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 98894349
(2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 97450408
[(3S,5R)-3-(pyrimidin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 97371127
(2-methylfuran-3-yl)-[(3R,5S)-3-[(6-methylpyridazin-3-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97489434
furan-2-yl-[(3R,5R)-3-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97371695
(2-methylcyclopropyl)-[4-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 131644828
[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone
CID 131652733

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 131663568) is (2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is Cc1occc1C(=O)N1CCC2(CC1)CC(Nc1ncccn1)CO2.
What is the InChIKey of (2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is MVUJKZCWGMVPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-15(3-10-24-13)16(23)22-8-4-18(5-9-22)11-14(12-25-18)21-17-19-6-2-7-20-17/h2-3,6-7,10,14H,4-5,8-9,11-12H2,1H3,(H,19,20,21).
What are the key properties of (2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 131663568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).