(2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone

C19H24N4O2 — CID 97450408

IUPAC(2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC2(CC1)CCN(c1ncccn1)CC2
InChIInChI=1S/C19H24N4O2/c1-15-16(3-14-25-15)17(24)22-10-4-19(5-11-22)6-12-23(13-7-19)18-20-8-2-9-21-18/h2-3,8-9,14H,4-7,10-13H2,1H3
InChIKeyLRYOOKMACYOPAL-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.90
Rot. Bonds2

About (2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone

(2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (PubChem CID 97450408) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
PubChem CID97450408
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC2(CC1)CCN(c1ncccn1)CC2
InChIInChI=1S/C19H24N4O2/c1-15-16(3-14-25-15)17(24)22-10-4-19(5-11-22)6-12-23(13-7-19)18-20-8-2-9-21-18/h2-3,8-9,14H,4-7,10-13H2,1H3
InChIKeyLRYOOKMACYOPAL-UHFFFAOYSA-N
XLogP2.90
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylfuran-3-yl)-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97449506
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
(2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131663568
1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472652
(2-methylfuran-3-yl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 97451294
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
(2-methylfuran-3-yl)-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155823599
(2-methylfuran-3-yl)-[(3S,5S)-3-(pyrimidin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97486309
(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)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 97451253
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(2-methylfuran-3-yl)methanone
CID 97486190

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The IUPAC name of (2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (CID 97450408) is (2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The canonical SMILES for (2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is Cc1occc1C(=O)N1CCC2(CC1)CCN(c1ncccn1)CC2.
What is the InChIKey of (2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The InChIKey is LRYOOKMACYOPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-16(3-14-25-15)17(24)22-10-4-19(5-11-22)6-12-23(13-7-19)18-20-8-2-9-21-18/h2-3,8-9,14H,4-7,10-13H2,1H3.
What are the key properties of (2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
(2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is sourced from PubChem (CID 97450408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).