formic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone

C17H27N5O5 — CID 154908973

IUPACformic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(CNc2cc(C)nc(N3CCOCC3)n2)C1.O=CO
InChIInChI=1S/C16H25N5O3.CH2O2/c1-12-9-15(19-16(18-12)20-3-6-23-7-4-20)17-10-14-11-21(13(2)22)5-8-24-14;2-1-3/h9,14H,3-8,10-11H2,1-2H3,(H,17,18,19);1H,(H,2,3)
InChIKeyANJGZSOOLHVJHI-UHFFFAOYSA-N
MW381.43 g/mol
LogP-0.02
Rot. Bonds4

About formic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone

formic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone (PubChem CID 154908973) has the molecular formula C17H27N5O5 and a molecular weight of 381.43 g/mol. Its IUPAC name is formic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Nameformic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone
PubChem CID154908973
Molecular FormulaC17H27N5O5
Molecular Weight381.43 g/mol
Exact Mass381.20
IUPAC Nameformic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(CNc2cc(C)nc(N3CCOCC3)n2)C1.O=CO
InChIInChI=1S/C16H25N5O3.CH2O2/c1-12-9-15(19-16(18-12)20-3-6-23-7-4-20)17-10-14-11-21(13(2)22)5-8-24-14;2-1-3/h9,14H,3-8,10-11H2,1-2H3,(H,17,18,19);1H,(H,2,3)
InChIKeyANJGZSOOLHVJHI-UHFFFAOYSA-N
XLogP-0.02
TPSA117.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze formic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

1-[4-[4-methyl-6-(prop-2-enylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112907704
1-[(2R)-2-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone
CID 71113527
6-methyl-N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112912455
1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone
CID 135089139
1-[(2R)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]morpholin-4-yl]ethanone
CID 125440889
1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915012
N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131932759
N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912314
1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone
CID 97195476
1-[4-[4-methyl-6-(2-phenylethylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914983
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912254
1-[4-[4-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914973

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone?
The IUPAC name of formic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone (CID 154908973) is formic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for formic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for formic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone is CC(=O)N1CCOC(CNc2cc(C)nc(N3CCOCC3)n2)C1.O=CO.
What is the InChIKey of formic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone?
The InChIKey is ANJGZSOOLHVJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3.CH2O2/c1-12-9-15(19-16(18-12)20-3-6-23-7-4-20)17-10-14-11-21(13(2)22)5-8-24-14;2-1-3/h9,14H,3-8,10-11H2,1-2H3,(H,17,18,19);1H,(H,2,3).
What are the key properties of formic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone?
formic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone has a molecular weight of 381.43 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[2-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 154908973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).