formic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol

C19H30N4O4 — CID 154918505

IUPACformic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol
SMILESCc1cc(N2CCC[C@]3(CCC[C@H]3O)C2)nc(N2CCOCC2)n1.O=CO
InChIInChI=1S/C18H28N4O2.CH2O2/c1-14-12-16(20-17(19-14)21-8-10-24-11-9-21)22-7-3-6-18(13-22)5-2-4-15(18)23;2-1-3/h12,15,23H,2-11,13H2,1H3;1H,(H,2,3)/t15-,18-;/m1./s1
InChIKeyNGWSXVHDVFWCJH-KQKCUOLZSA-N
MW378.47 g/mol
LogP1.45
Rot. Bonds2

About formic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol

formic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol (PubChem CID 154918505) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is formic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Nameformic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol
PubChem CID154918505
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Nameformic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol
SMILESCc1cc(N2CCC[C@]3(CCC[C@H]3O)C2)nc(N2CCOCC2)n1.O=CO
InChIInChI=1S/C18H28N4O2.CH2O2/c1-14-12-16(20-17(19-14)21-8-10-24-11-9-21)22-7-3-6-18(13-22)5-2-4-15(18)23;2-1-3/h12,15,23H,2-11,13H2,1H3;1H,(H,2,3)/t15-,18-;/m1./s1
InChIKeyNGWSXVHDVFWCJH-KQKCUOLZSA-N
XLogP1.45
TPSA99.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163351063
[2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 164694880
formic acid;(4R,5S)-7-[4-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[4.5]decan-4-ol
CID 154915988
3-cyclohexyl-1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121090195
(4R,5R)-7-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol;formic acid
CID 154917831
1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339971
formic acid;(1S,5R)-9-methyl-7-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 154916287
formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 166599051
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121031849
3,3,3-trifluoro-1-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 122333617

Frequently Asked Questions

What is the IUPAC name of formic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of formic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol (CID 154918505) is formic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for formic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for formic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol is Cc1cc(N2CCC[C@]3(CCC[C@H]3O)C2)nc(N2CCOCC2)n1.O=CO.
What is the InChIKey of formic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol?
The InChIKey is NGWSXVHDVFWCJH-KQKCUOLZSA-N. The full InChI is InChI=1S/C18H28N4O2.CH2O2/c1-14-12-16(20-17(19-14)21-8-10-24-11-9-21)22-7-3-6-18(13-22)5-2-4-15(18)23;2-1-3/h12,15,23H,2-11,13H2,1H3;1H,(H,2,3)/t15-,18-;/m1./s1.
What are the key properties of formic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol?
formic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol has a molecular weight of 378.47 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(4R,5R)-7-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 154918505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).