oxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C19H28N4O3 — CID 154802644

IUPACoxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESO=C(C1CCOCC1)N1CC(CNc2ncccn2)C2(CCOCC2)C1
InChIInChI=1S/C19H28N4O3/c24-17(15-2-8-25-9-3-15)23-13-16(12-22-18-20-6-1-7-21-18)19(14-23)4-10-26-11-5-19/h1,6-7,15-16H,2-5,8-14H2,(H,20,21,22)
InChIKeyPZFUQVCURUROIL-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.57
Rot. Bonds4

About oxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

oxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 154802644) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is oxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID154802644
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Nameoxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESO=C(C1CCOCC1)N1CC(CNc2ncccn2)C2(CCOCC2)C1
InChIInChI=1S/C19H28N4O3/c24-17(15-2-8-25-9-3-15)23-13-16(12-22-18-20-6-1-7-21-18)19(14-23)4-10-26-11-5-19/h1,6-7,15-16H,2-5,8-14H2,(H,20,21,22)
InChIKeyPZFUQVCURUROIL-UHFFFAOYSA-N
XLogP1.57
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,3aS,6aS)-3-[(pyrimidin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(oxan-4-yl)methanone
CID 133136955
[7-[(pyrimidin-2-ylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(thian-4-yl)methanone
CID 131640546
[(3S,3aS,6aS)-3-[(pyrimidin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-cyclobutylmethanone
CID 124794423
oxan-4-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97370007
[(3aS,6aS)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(oxan-4-yl)methanone
CID 97377128
2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid
CID 155873009
N-[[(7R)-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
CID 124808874
[5-(anilinomethyl)-2-phenyl-2,7-diazaspiro[3.4]octan-7-yl]-(4-methoxycyclohexyl)methanone
CID 134805222
[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 91910416
[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 87053369
[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-(oxolan-3-yl)methanone
CID 131689100
oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 95845794

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of oxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 154802644) is oxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for oxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for oxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is O=C(C1CCOCC1)N1CC(CNc2ncccn2)C2(CCOCC2)C1.
What is the InChIKey of oxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is PZFUQVCURUROIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-17(15-2-8-25-9-3-15)23-13-16(12-22-18-20-6-1-7-21-18)19(14-23)4-10-26-11-5-19/h1,6-7,15-16H,2-5,8-14H2,(H,20,21,22).
What are the key properties of oxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
oxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[4-[(pyrimidin-2-ylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 154802644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).