4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile

C12H15N5O2S — CID 43028554

IUPAC4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile
SMILESCC(Sc1ncc(C#N)c(N)n1)C(=O)N1CCOCC1
InChIInChI=1S/C12H15N5O2S/c1-8(11(18)17-2-4-19-5-3-17)20-12-15-7-9(6-13)10(14)16-12/h7-8H,2-5H2,1H3,(H2,14,15,16)
InChIKeyXUEVMSYXIHHCBW-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.27
Rot. Bonds3

About 4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile

4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile (PubChem CID 43028554) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile
PubChem CID43028554
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile
SMILESCC(Sc1ncc(C#N)c(N)n1)C(=O)N1CCOCC1
InChIInChI=1S/C12H15N5O2S/c1-8(11(18)17-2-4-19-5-3-17)20-12-15-7-9(6-13)10(14)16-12/h7-8H,2-5H2,1H3,(H2,14,15,16)
InChIKeyXUEVMSYXIHHCBW-UHFFFAOYSA-N
XLogP0.27
TPSA105.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylpropanoate
CID 43022442
4-amino-2-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanylpyrimidine-5-carbonitrile
CID 40657796
(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 865204
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 37330745
(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 40789608
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 17435985
(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
CID 863594
(2R)-1-morpholin-4-yl-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propan-1-one
CID 94797380
4-amino-2-[(4E)-3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butan-2-yl]sulfanylpyrimidine-5-carbonitrile
CID 43058456
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide
CID 43028551
4-amino-2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanylpyrimidine-5-carbonitrile
CID 43058452
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 43117472

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile (CID 43028554) is 4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile is CC(Sc1ncc(C#N)c(N)n1)C(=O)N1CCOCC1.
What is the InChIKey of 4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile?
The InChIKey is XUEVMSYXIHHCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-8(11(18)17-2-4-19-5-3-17)20-12-15-7-9(6-13)10(14)16-12/h7-8H,2-5H2,1H3,(H2,14,15,16).
What are the key properties of 4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile?
4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile has a molecular weight of 293.35 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 43028554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).