5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine

C23H22ClN5OS — CID 24670119

IUPAC5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine
SMILESCCc1nc(SC(C)c2nnc(-c3ccc(C)cc3)o2)nc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN5OS/c1-4-18-19(15-9-11-17(24)12-10-15)20(25)27-23(26-18)31-14(3)21-28-29-22(30-21)16-7-5-13(2)6-8-16/h5-12,14H,4H2,1-3H3,(H2,25,26,27)
InChIKeyGARFSBJYWMYOHU-UHFFFAOYSA-N
MW451.98 g/mol
LogP6.15
Rot. Bonds6

About 5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine

5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine (PubChem CID 24670119) has the molecular formula C23H22ClN5OS and a molecular weight of 451.98 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine
PubChem CID24670119
Molecular FormulaC23H22ClN5OS
Molecular Weight451.98 g/mol
Exact Mass451.12
IUPAC Name5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine
SMILESCCc1nc(SC(C)c2nnc(-c3ccc(C)cc3)o2)nc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN5OS/c1-4-18-19(15-9-11-17(24)12-10-15)20(25)27-23(26-18)31-14(3)21-28-29-22(30-21)16-7-5-13(2)6-8-16/h5-12,14H,4H2,1-3H3,(H2,25,26,27)
InChIKeyGARFSBJYWMYOHU-UHFFFAOYSA-N
XLogP6.15
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.98
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine
CID 24670027
methyl 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylpropanoate
CID 24670032
2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-carbamoyl-3-methylbutanamide
CID 42941801
6-[1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,5-triazine-2,4-diamine
CID 146125853
2-[1-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807372
5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine
CID 25099412
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine
CID 168990564
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 8582003
2-(4-methylphenyl)-5-[(1S)-1-pyridin-2-ylsulfanylethyl]-1,3,4-oxadiazole
CID 51928517
2-(4-methylphenyl)-5-[1-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
CID 78812077
N'-[2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylacetyl]-4-chlorobenzohydrazide
CID 24670056
2-(1-benzylsulfanylethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 78807783

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine (CID 24670119) is 5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine is CCc1nc(SC(C)c2nnc(-c3ccc(C)cc3)o2)nc(N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine?
The InChIKey is GARFSBJYWMYOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5OS/c1-4-18-19(15-9-11-17(24)12-10-15)20(25)27-23(26-18)31-14(3)21-28-29-22(30-21)16-7-5-13(2)6-8-16/h5-12,14H,4H2,1-3H3,(H2,25,26,27).
What are the key properties of 5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine?
5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine has a molecular weight of 451.98 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-ethyl-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 24670119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).