ethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline

C23H37N5O2S — CID 143633131

IUPACethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline
SMILESC=O.CC(C)SC(C)(C)c1cc(N2CCOCC2)nc(-c2ccc(N)cc2)n1.CCN
InChIInChI=1S/C20H28N4OS.C2H7N.CH2O/c1-14(2)26-20(3,4)17-13-18(24-9-11-25-12-10-24)23-19(22-17)15-5-7-16(21)8-6-15;1-2-3;1-2/h5-8,13-14H,9-12,21H2,1-4H3;2-3H2,1H3;1H2
InChIKeyGPXASEHPMPLCRW-UHFFFAOYSA-N
MW447.65 g/mol
LogP3.72
Rot. Bonds5

About ethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline

ethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline (PubChem CID 143633131) has the molecular formula C23H37N5O2S and a molecular weight of 447.65 g/mol. Its IUPAC name is ethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline.

Molecular Properties

Compound Nameethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline
PubChem CID143633131
Molecular FormulaC23H37N5O2S
Molecular Weight447.65 g/mol
Exact Mass447.27
IUPAC Nameethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline
SMILESC=O.CC(C)SC(C)(C)c1cc(N2CCOCC2)nc(-c2ccc(N)cc2)n1.CCN
InChIInChI=1S/C20H28N4OS.C2H7N.CH2O/c1-14(2)26-20(3,4)17-13-18(24-9-11-25-12-10-24)23-19(22-17)15-5-7-16(21)8-6-15;1-2-3;1-2/h5-8,13-14H,9-12,21H2,1-4H3;2-3H2,1H3;1H2
InChIKeyGPXASEHPMPLCRW-UHFFFAOYSA-N
XLogP3.72
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.65
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-[4-(2-hexan-2-ylsulfanylpropan-2-yl)-6-morpholin-4-ylpyrimidin-2-yl]aniline
CID 143633197
ethane;4-[4-(ethylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]aniline
CID 143633077
2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 143633269
4-[4-(2-cyclopropylsulfonylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]aniline
CID 59380128
[4-[4-(2-methylsulfonylsulfonylpropan-2-yl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamic acid
CID 68978963
4-[4-morpholin-4-yl-6-(pyridin-2-ylsulfanylmethyl)pyrimidin-2-yl]aniline
CID 143633228
4-[4-morpholin-4-yl-6-(1-pyridin-4-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline
CID 143741656
4-[6-(2-methylsulfanylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
CID 143742170
N-butyl-4-[4-[2-(4-fluorophenyl)sulfanylpropan-2-yl]-6-(1,3-oxazolidin-3-yl)pyrimidin-2-yl]aniline
CID 143633035
[2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol
CID 67297519
4-[4-[1-(2,4-difluorophenyl)sulfanylcyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]aniline
CID 143741509
4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline
CID 46201892

Frequently Asked Questions

What is the IUPAC name of ethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline?
The IUPAC name of ethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline (CID 143633131) is ethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline.
What is the SMILES notation for ethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline?
The canonical SMILES for ethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline is C=O.CC(C)SC(C)(C)c1cc(N2CCOCC2)nc(-c2ccc(N)cc2)n1.CCN.
What is the InChIKey of ethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline?
The InChIKey is GPXASEHPMPLCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS.C2H7N.CH2O/c1-14(2)26-20(3,4)17-13-18(24-9-11-25-12-10-24)23-19(22-17)15-5-7-16(21)8-6-15;1-2-3;1-2/h5-8,13-14H,9-12,21H2,1-4H3;2-3H2,1H3;1H2.
What are the key properties of ethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline?
ethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline has a molecular weight of 447.65 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline is sourced from PubChem (CID 143633131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).