2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide

C20H17N5OS2 — CID 46629914

IUPAC2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
SMILESCC(Sc1ncc(C#N)c(N)n1)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H17N5OS2/c1-13(27-20-23-12-14(11-21)18(22)25-20)19(26)24-16-9-5-6-10-17(16)28-15-7-3-2-4-8-15/h2-10,12-13H,1H3,(H,24,26)(H2,22,23,25)
InChIKeyAEZUHWNYXMNADZ-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.20
Rot. Bonds6

About 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide (PubChem CID 46629914) has the molecular formula C20H17N5OS2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
PubChem CID46629914
Molecular FormulaC20H17N5OS2
Molecular Weight407.52 g/mol
Exact Mass407.09
IUPAC Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
SMILESCC(Sc1ncc(C#N)c(N)n1)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H17N5OS2/c1-13(27-20-23-12-14(11-21)18(22)25-20)19(26)24-16-9-5-6-10-17(16)28-15-7-3-2-4-8-15/h2-10,12-13H,1H3,(H,24,26)(H2,22,23,25)
InChIKeyAEZUHWNYXMNADZ-UHFFFAOYSA-N
XLogP4.20
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 865204
(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
CID 863594
methyl 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylpropanoate
CID 43022442
(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)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide
CID 2501567
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 94011837
(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide
CID 61254196
N-(2-cyanophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 17434437
(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide
CID 8940644
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide
CID 24501065
N-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 51110576

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide?
The IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide (CID 46629914) is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide?
The canonical SMILES for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide is CC(Sc1ncc(C#N)c(N)n1)C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide?
The InChIKey is AEZUHWNYXMNADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS2/c1-13(27-20-23-12-14(11-21)18(22)25-20)19(26)24-16-9-5-6-10-17(16)28-15-7-3-2-4-8-15/h2-10,12-13H,1H3,(H,24,26)(H2,22,23,25).
What are the key properties of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide?
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide has a molecular weight of 407.52 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide is sourced from PubChem (CID 46629914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).