formamide;4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)aniline

C23H34N6O3S — CID 143633375

IUPACformamide;4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)aniline
SMILESCSCc1cc(N2CCOCC2)nc(-c2ccc(NCCN3CCOCC3)cc2)n1.NC=O
InChIInChI=1S/C22H31N5O2S.CH3NO/c1-30-17-20-16-21(27-10-14-29-15-11-27)25-22(24-20)18-2-4-19(5-3-18)23-6-7-26-8-12-28-13-9-26;2-1-3/h2-5,16,23H,6-15,17H2,1H3;1H,(H2,2,3)
InChIKeyIALXOVYOPJFUIV-UHFFFAOYSA-N
MW474.63 g/mol
LogP1.69
Rot. Bonds8

About formamide;4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)aniline

formamide;4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 143633375) has the molecular formula C23H34N6O3S and a molecular weight of 474.63 g/mol. Its IUPAC name is formamide;4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Nameformamide;4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)aniline
PubChem CID143633375
Molecular FormulaC23H34N6O3S
Molecular Weight474.63 g/mol
Exact Mass474.24
IUPAC Nameformamide;4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)aniline
SMILESCSCc1cc(N2CCOCC2)nc(-c2ccc(NCCN3CCOCC3)cc2)n1.NC=O
InChIInChI=1S/C22H31N5O2S.CH3NO/c1-30-17-20-16-21(27-10-14-29-15-11-27)25-22(24-20)18-2-4-19(5-3-18)23-6-7-26-8-12-28-13-9-26;2-1-3/h2-5,16,23H,6-15,17H2,1H3;1H,(H2,2,3)
InChIKeyIALXOVYOPJFUIV-UHFFFAOYSA-N
XLogP1.69
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-[4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
CID 143633340
2-cyano-N-[4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide
CID 143742096
[1-[[4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamoyl]pyrrolidin-3-yl]-oxosulfanium
CID 143633333
6-cyano-N-[4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]pyridine-3-carboxamide
CID 143742093
1-[4-[4-(cyclopropylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 143633302
ethane;4-[4-(ethylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]aniline
CID 143633077
2-[2-amino-5-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-2-iminoethanol
CID 143504256
2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide
CID 25168049
1-[4-[4-(2-hydroxyethylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 143633252
1-cyclopropyl-3-[4-[4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
CID 143633036
4-[4-morpholin-4-yl-6-(pyridin-2-ylsulfanylmethyl)pyrimidin-2-yl]aniline
CID 143633228
[2-[4-[2-(dimethylamino)ethylcarbamoylamino]phenyl]-6-morpholin-4-ylpyrimidin-4-yl]methyl-ethylsulfanium
CID 143633229

Frequently Asked Questions

What is the IUPAC name of formamide;4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of formamide;4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)aniline (CID 143633375) is formamide;4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for formamide;4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for formamide;4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)aniline is CSCc1cc(N2CCOCC2)nc(-c2ccc(NCCN3CCOCC3)cc2)n1.NC=O.
What is the InChIKey of formamide;4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is IALXOVYOPJFUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2S.CH3NO/c1-30-17-20-16-21(27-10-14-29-15-11-27)25-22(24-20)18-2-4-19(5-3-18)23-6-7-26-8-12-28-13-9-26;2-1-3/h2-5,16,23H,6-15,17H2,1H3;1H,(H2,2,3).
What are the key properties of formamide;4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)aniline?
formamide;4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 474.63 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 143633375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).